{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" [ 8.50637 7.936411 7.583173 7.326527 7.124835 6.958663 6.817354 6.694427 6.585646 6.488088 6.399653 6.318779 6.244275 6.175209 6.110843 6.050576 5.993919 5.940462 5.889863 5.841833 5.796122 5.752518 5.710835 5.67091 5.64373 5.615125 5.584935 5.552976 5.519028 5.482825 5.444048 5.402301 5.357092 5.307794 5.253594 5.193407 5.125746 5.048486 4.958447 4.850548 4.715904 4.53673 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.50637e-10 7.936411e-10 7.583173000000001e-10 7.326527e-10 7.124835e-10 6.958663e-10 6.817354e-10 6.694427e-10 6.585646e-10 6.488088000000001e-10 6.399653e-10 6.318779e-10 6.244275e-10 6.175209e-10 6.110843e-10 6.050576e-10 5.993919e-10 5.940462000000001e-10 5.889863e-10 5.841833000000001e-10 5.796122000000001e-10 5.752518e-10 5.710835e-10 5.670910000000001e-10 5.64373e-10 5.615125e-10 5.584935e-10 5.552976e-10 5.519028e-10 5.482825000000001e-10 5.444048000000001e-10 5.402300999999999e-10 5.357092e-10 5.307794e-10 5.253593999999999e-10 5.193407e-10 5.125746e-10 5.048485999999999e-10 4.958447e-10 4.850548e-10 4.715904e-10 4.5367300000000007e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0993439 0.379209 0.161708 0.00772844 0.303452 0.490354 0.600364 0.697432 0.786648 0.859412 0.915652 0.958045 0.981646 0.992496 0.996625 0.998212 1 1.00464 1.01223 1.02182 1.03231 1.04269 1.05159 1.05658 1.05393 1.04578 1.0318 1.01172 0.985321 0.952499 0.913495 0.869487 0.822658 0.774987 0.727793 0.67953 0.61383 0.511966 0.383405 0.251608 0.0380769 -0.298635 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5916647399909313e-20 6.075597941969473e-20 2.590847769963264e-20 1.2382325883255552e-21 4.861836999350016e-20 7.856337147157632e-20 9.618891647699713e-20 1.1174092449977857e-19 1.2603490343990785e-19 1.3769298140349697e-19 1.4670362271887618e-19 1.5349573006743363e-19 1.572770271101837e-19 1.590153887437517e-19 1.5967692747048e-19 1.5993119290020097e-19 1.6021766208e-19 1.6096107203205121e-19 1.621771240872384e-19 1.637136114665856e-19 1.6539429474180481e-19 1.670573540741952e-19 1.6848329126670722e-19 1.6928277740048641e-19 1.6885820059597442e-19 1.6755242665002239e-19 1.6531258373414402e-19 1.620954130795776e-19 1.578658270183277e-19 1.5260716291353793e-19 1.463580332217696e-19 1.3930717434895296e-19 1.3180434145140865e-19 1.2416660528239296e-19 1.1660529293818944e-19 1.088727079132224e-19 9.834640751456641e-20 8.202599558444929e-20 6.14282527297824e-20 4.0312045520624645e-20 6.100591897253952e-21 -4.78466015152608e-20 ] } }