{ "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 5.98134 5.580568 5.332186 5.151723 5.009901 4.893055 4.793693 4.707255 4.630765 4.562166 4.499982 4.443115 4.390727 4.342163 4.296903 4.254526 4.214686 4.177098 4.141519 4.107746 4.075604 4.044944 4.015634 3.98756 3.959179 3.929932 3.899765 3.868618 3.836425 3.803113 3.768602 3.732802 3.695614 3.656925 3.616609 3.574523 3.530504 3.484367 3.435898 3.384847 3.330924 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.98134e-10 5.580568e-10 5.332186e-10 5.151723e-10 5.009901000000001e-10 4.893055000000001e-10 4.793693000000001e-10 4.707255e-10 4.6307650000000004e-10 4.5621660000000006e-10 4.4999820000000004e-10 4.443115e-10 4.390727e-10 4.3421630000000004e-10 4.2969030000000004e-10 4.254526e-10 4.2146860000000006e-10 4.1770980000000004e-10 4.141519e-10 4.107746e-10 4.0756040000000006e-10 4.044944e-10 4.0156340000000006e-10 3.9875600000000004e-10 3.959179e-10 3.929932e-10 3.899765e-10 3.868618e-10 3.8364250000000005e-10 3.8031130000000006e-10 3.768602e-10 3.732802e-10 3.695614e-10 3.6569250000000003e-10 3.616609e-10 3.574523e-10 3.530504e-10 3.484367e-10 3.435898e-10 3.384847e-10 3.330924e-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" [ 0.165367 0.300099 0.425781 0.543004 0.652028 0.753333 0.852231 0.943511 1.02738 1.10442 1.17483 1.23876 1.29641 1.34796 1.39358 1.43347 1.46858 1.49871 1.52375 1.54376 1.55888 1.56943 1.57562 1.57764 1.57547 1.56847 1.55582 1.53662 1.50987 1.47446 1.43083 1.37713 1.31199 1.23426 1.14433 1.04377 0.936374 0.830023 0.740315 0.694538 0.740604 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.6494714343467795e-20 4.80811605686766e-20 6.82176369401154e-20 8.69988320968536e-20 1.0446640263137521e-19 1.206972530221122e-19 1.365424594970454e-19 1.5116712781219738e-19 1.64604423023892e-19 1.76947591812228e-19 1.88228517492222e-19 1.98471232713384e-19 2.07707781008394e-19 2.1596700155666398e-19 2.23276131360972e-19 2.29667213953998e-19 2.3529245611597196e-19 2.40119814314214e-19 2.4413166460574997e-19 2.4733762005038397e-19 2.49760111120992e-19 2.51450407469862e-19 2.5244215480630797e-19 2.5276579448637596e-19 2.52418122156798e-19 2.51296598512998e-19 2.4926984507098797e-19 2.46193665933708e-19 2.41907843437758e-19 2.36234535976764e-19 2.2924423932262197e-19 2.20640550798042e-19 2.1020397220416598e-19 1.9775025322808398e-19 1.83341878758522e-19 1.67230390527018e-19 1.500236543485116e-19 1.329843456282582e-19 1.1861153947997098e-19 1.112772555025092e-19 1.186578423846936e-19 ] } }