{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.4467 8.813736 8.421451 8.136434 7.912446 7.727905 7.570975 7.434459 7.313653 7.205311 7.1071 7.017286 6.934546 6.857846 6.786364 6.719436 6.656515 6.597149 6.540957 6.487617 6.436854 6.38843 6.342138 6.2978 6.252976 6.206785 6.15914 6.109947 6.059102 6.006491 5.951986 5.895445 5.836712 5.775608 5.711934 5.645465 5.575944 5.503077 5.426526 5.345897 5.260734 5.170493 5.074533 4.972077 4.862183 4.743686 4.615122 4.474623 4.319742 4.147196 3.952431 3.728865 3.46648 3.1489 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.4467e-10 8.813736e-10 8.421450999999999e-10 8.136433999999999e-10 7.912446000000001e-10 7.727905e-10 7.570975e-10 7.434459000000001e-10 7.313653000000001e-10 7.205311e-10 7.1071e-10 7.017286000000001e-10 6.934546e-10 6.857846000000001e-10 6.786364e-10 6.719436000000001e-10 6.656515e-10 6.597149e-10 6.540957e-10 6.487617000000001e-10 6.436854000000001e-10 6.38843e-10 6.342138000000001e-10 6.2978e-10 6.252976000000001e-10 6.206785e-10 6.15914e-10 6.109947e-10 6.059102000000001e-10 6.006491e-10 5.951986e-10 5.895445e-10 5.836712000000001e-10 5.775608000000001e-10 5.711934e-10 5.645465e-10 5.575944e-10 5.503077e-10 5.426526e-10 5.345897e-10 5.260734000000001e-10 5.170493e-10 5.074533e-10 4.972077e-10 4.862183e-10 4.743686000000001e-10 4.6151220000000007e-10 4.4746230000000003e-10 4.319742e-10 4.147196e-10 3.952431e-10 3.728865e-10 3.4664799999999997e-10 3.1489e-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" [ 1.19945 1.44999 1.62066 1.75047 1.85462 1.94081 2.01355 2.07571 2.1293 2.17574 2.21608 2.25117 2.28163 2.30801 2.33071 2.35003 2.36641 2.38004 2.39113 2.39988 2.40645 2.41099 2.41364 2.41449 2.41358 2.41063 2.4053 2.3972 2.38583 2.37062 2.35089 2.3258 2.29435 2.25462 2.20267 2.14362 2.07149 1.98323 1.87513 1.74246 1.57908 1.37688 1.12507 0.808988 0.408374 -0.105395 -0.773776 -1.65854 -2.85499 -4.51631 -6.90147 -10.477 -16.1554 -25.9318 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9217307636512997e-19 2.32314009753366e-19 2.59658358365844e-19 2.8045621325179796e-19 2.9714288289490796e-19 3.1095204330335397e-19 3.2260627613907e-19 3.3256540609601396e-19 3.4115147067762e-19 3.4859197896591593e-19 3.5505515950747195e-19 3.60677197316178e-19 3.6555742734334197e-19 3.6978396930383397e-19 3.7342091026301393e-19 3.7651631551990193e-19 3.79140680846394e-19 3.81324447598536e-19 3.8310126148564195e-19 3.84503166040392e-19 3.8555579608893e-19 3.8628318428076596e-19 3.86707761088776e-19 3.8684394610266593e-19 3.86698148028972e-19 3.8622550592194197e-19 3.8537154577601997e-19 3.8407378270248e-19 3.82252107869622e-19 3.79815197209308e-19 3.76654102710426e-19 3.7263424153571997e-19 3.6759539602179e-19 3.6122994825490797e-19 3.52906640641278e-19 3.4344578761750797e-19 3.3188928755646596e-19 3.17748476584782e-19 3.00428947171242e-19 2.7917286976796395e-19 2.5299650792167197e-19 2.20600496382192e-19 1.8025608656143798e-19 1.296141670786392e-19 6.54287280733116e-20 -1.6886140634043e-20 -1.239725827149984e-19 -2.6572740345543594e-19 -4.57419826830366e-19 -7.235926353900539e-19 -1.1057373974251979e-18 -1.6786004594418e-18 -2.58838043929236e-18 -4.1547324037561194e-18 ] } }