{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 7.79863 7.276094 6.952246 6.716954 6.532043 6.379697 6.250146 6.137447 6.037717 5.948276 5.867199 5.793054 5.724749 5.66143 5.602419 5.547167 5.495223 5.446214 5.399825 5.355791 5.313884 5.273908 5.235693 5.19909 5.162086 5.123953 5.08462 5.044009 5.002035 4.958602 4.913606 4.866929 4.818442 4.767998 4.715433 4.66056 4.603167 4.543013 4.479816 4.413254 4.342948 4.268451 4.189231 4.10465 4.013928 3.916103 3.809969 3.69398 3.56612 3.423676 3.262889 3.078326 2.861716 2.59954 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.798630000000001e-10 7.276093999999999e-10 6.952246e-10 6.716954e-10 6.532043e-10 6.379697e-10 6.250146e-10 6.137447e-10 6.037717e-10 5.948276e-10 5.867199000000001e-10 5.793054e-10 5.724749e-10 5.66143e-10 5.602419e-10 5.547167e-10 5.495223e-10 5.446214000000001e-10 5.399825e-10 5.355791e-10 5.313884e-10 5.273908e-10 5.235693000000001e-10 5.19909e-10 5.162086000000001e-10 5.123953000000001e-10 5.08462e-10 5.044009e-10 5.002035000000001e-10 4.958602e-10 4.913606e-10 4.866929e-10 4.818442000000001e-10 4.767998000000001e-10 4.715433e-10 4.66056e-10 4.603167e-10 4.543013e-10 4.479816e-10 4.4132540000000005e-10 4.342948e-10 4.2684509999999997e-10 4.1892310000000004e-10 4.1046500000000004e-10 4.013928e-10 3.9161030000000005e-10 3.809969e-10 3.69398e-10 3.5661200000000004e-10 3.423676e-10 3.2628890000000003e-10 3.078326e-10 2.861716e-10 2.5995400000000005e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.493722 0.670945 0.820082 0.967045 1.11898 1.27271 1.42272 1.59247 1.72765 1.84892 1.95756 2.05396 2.1388 2.21287 2.27699 2.33197 2.37854 2.41737 2.44909 2.47423 2.49329 2.52466 2.54621 2.55023 2.54769 2.53971 2.52542 2.50382 2.47367 2.43355 2.38172 2.31613 2.23427 2.1331 2.0089 1.85707 1.67188 1.44615 1.17078 0.834078 0.420931 -0.0885749 -0.720962 -1.51218 -2.51192 -3.79033 -5.44888 -7.63884 -10.5933 -14.6873 -20.5547 -29.3389 -43.2811 -67.3012 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.910298520917479e-20 1.07497240169913e-19 1.313916218363988e-19 1.5493769030265299e-19 1.79280360991332e-19 2.03910622385814e-19 2.2794487407244797e-19 2.55141822434598e-19 2.7680004617301e-19 2.9622964221352797e-19 3.1363568916530397e-19 3.2908067191706397e-19 3.4267353847991995e-19 3.54540860807958e-19 3.6481401738516597e-19 3.7362278451889797e-19 3.81084121103436e-19 3.87305372973258e-19 3.9238747725630595e-19 3.9641534931418195e-19 3.99469097978586e-19 4.04495126079444e-19 4.0794781672571397e-19 4.0859189173258197e-19 4.0818493886754595e-19 4.0690640191361396e-19 4.04616891503628e-19 4.01156189974188e-19 3.9632562742267795e-19 3.8989769476706997e-19 3.81593613273048e-19 3.7108493673064196e-19 3.5796951880471797e-19 3.4176029779854e-19 3.2186126400426e-19 2.97535416170238e-19 2.67864707085192e-19 2.3169877392591e-19 1.8757963595545197e-19 1.336340282533452e-19 6.74405812726254e-20 -1.4191263513888658e-20 -1.155108470401908e-19 -2.42277946240212e-19 -4.02453953047728e-19 -6.07277816114922e-19 -8.730068217469918e-19 -1.223877095886456e-18 -1.6972337736952197e-18 -2.35316488765482e-18 -3.29322600588798e-18 -4.70061000472626e-18 -6.93439671138174e-18 -1.0782841008016079e-17 ] } }