{ "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" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 10.3624 9.668088 9.237781 8.92514 8.679442 8.477014 8.304874 8.155128 8.022613 7.90377 7.79604 7.697521 7.606761 7.522627 7.444217 7.370802 7.301782 7.236662 7.175024 7.116515 7.060831 7.007714 6.956936 6.9083 6.875189 6.840342 6.803565 6.764633 6.723277 6.679175 6.631936 6.58108 6.526006 6.465952 6.399925 6.326605 6.24418 6.150062 6.040377 5.908934 5.744911 5.52664 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.03624e-09 9.668088e-10 9.237781e-10 8.925140000000001e-10 8.679442e-10 8.477014000000001e-10 8.304874e-10 8.155128e-10 8.022613e-10 7.90377e-10 7.79604e-10 7.697521e-10 7.606761e-10 7.522627e-10 7.444217e-10 7.370802000000001e-10 7.301782e-10 7.236662e-10 7.175024e-10 7.116515e-10 7.060831000000001e-10 7.007714e-10 6.956936e-10 6.9083e-10 6.875189e-10 6.840342e-10 6.803565e-10 6.764633e-10 6.723277000000001e-10 6.679175e-10 6.631936e-10 6.58108e-10 6.526006e-10 6.465952e-10 6.399925e-10 6.326605e-10 6.24418e-10 6.150062000000001e-10 6.040377e-10 5.908934000000001e-10 5.744911e-10 5.526640000000001e-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" [ 0.084084 0.172472 0.246522 0.31011 0.365407 0.413864 0.456555 0.494248 0.527588 0.557084 0.583151 0.606137 0.626333 0.643987 0.659315 0.6725 0.683706 0.693074 0.705665 0.712396 0.717002 0.720194 0.722055 0.72266 0.722368 0.72141 0.719638 0.716865 0.712854 0.707294 0.699783 0.68978 0.67655 0.659074 0.635895 0.604867 0.562708 0.50415 0.420205 0.294237 0.0917515 -0.272271 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3471741898334722e-20 2.763306061426176e-20 3.949717849128576e-20 4.96850991876288e-20 5.854465524766655e-20 6.630832249907712e-20 7.31481747109344e-20 7.918725904771585e-20 8.452891590146304e-20 8.925469606217473e-20 9.343108985961408e-20 9.711385304018498e-20 1.0034960894355265e-19 1.0317809154991297e-19 1.056339078742752e-19 1.0774637774880001e-19 1.0954177687006848e-19 1.1104269592843391e-19 1.130599965116832e-19 1.141384215951437e-19 1.1487638414668416e-19 1.1538779892404354e-19 1.156859639931744e-19 1.157828956787328e-19 1.1573611212140545e-19 1.155826236011328e-19 1.1529871790392706e-19 1.148544343269792e-19 1.1421180128437631e-19 1.1332099108321152e-19 1.1211759622332865e-19 1.105149389495424e-19 1.08395259280224e-19 1.0559529541771393e-19 1.0188161022836161e-19 9.691037660934337e-20 9.015576019371265e-20 8.0773734337632e-20 6.732426269432641e-20 4.7141964237432965e-20 1.470021082233312e-20 -4.362262307218368e-20 ] } }