{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8442817 0.9206702 0.8357587 ] [ 0.3795063 0.7207018 2.571138 ] [ 0.5352031 2.484454 2.60301 ] [ 2.861465 0.7370648 0.0976718 ] [ 2.459453 1.267265 1.961226 ] [ 1.563309 2.840378 0.3371872 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.442817e-11 9.206702e-11 8.357587e-11 ] [ 3.795063e-11 7.207018e-11 2.571138e-10 ] [ 5.352031e-11 2.484454e-10 2.60301e-10 ] [ 2.861465e-10 7.370648e-11 9.767180000000001e-12 ] [ 2.459453e-10 1.267265e-10 1.961226e-10 ] [ 1.563309e-10 2.840378e-10 3.371872000000001e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.535846 -3.6859976 -7.8614738 ] [ -4.8526234 -8.6726372 7.9490679 ] [ -2.0842605 8.3128881 3.4371157 ] [ 4.2086815 -2.7002486 -4.8628418 ] [ 6.888549 -0.9133186 6.6492175 ] [ 0.3754993 7.6593138 -5.3110854 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.267226416749197e-09 -5.90561917904491e-09 -1.259546952739174e-08 ] [ -7.774759761027006e-09 -1.389509656252038e-08 1.273581074653175e-08 ] [ -3.339353444756919e-09 1.331871496514653e-08 5.506866417524627e-09 ] [ 6.743051103693475e-09 -4.326275177267931e-09 -7.79113144260899e-09 ] [ 1.103667215903522e-08 -1.463297708261787e-09 1.065322082511422e-08 ] [ 6.016161995867654e-10 1.227157350173081e-08 -8.509296858952217e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.5674762 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.511373721300425e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.7079891 0.7367369 0.0223228 ] [ -0.1824226 0.5464302 2.2981331 ] [ 1.1574578 2.5483921 2.7511439 ] [ 3.0041985 0.3381284 0.4619961 ] [ 3.3295097 1.6493493 2.4369996 ] [ 0.6264855 3.1514969 0.4353962 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.079891000000001e-11 7.367369e-11 2.23228e-12 ] [ -1.824226e-11 5.464302e-11 2.2981331e-10 ] [ 1.1574578e-10 2.5483921e-10 2.7511439e-10 ] [ 3.0041985e-10 3.381284e-11 4.619961000000001e-11 ] [ 3.3295097e-10 1.6493493e-10 2.4369996e-10 ] [ 6.264855e-11 3.1514969e-10 4.353962000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.2e-06 -1.1e-06 1.12e-05 ] [ 2.04e-05 8.2e-06 -1.32e-05 ] [ 5.1e-06 4.8e-06 -2.3e-05 ] [ -9.6e-06 6.4e-06 7.1e-06 ] [ -1e-06 -2.08e-05 1.05e-05 ] [ -2.21e-05 2.4e-06 7.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.153567166976e-14 -1.76239428288e-15 1.794437815296e-14 ] [ 3.268440306432e-14 1.313784829056e-14 -2.114873139456e-14 ] [ 8.17110076608e-15 7.69044777984e-15 -3.68500622784e-14 ] [ -1.538089555968e-14 1.025393037312e-14 1.137545400768e-14 ] [ -1.6021766208e-15 -3.332527371264e-14 1.68228545184e-14 ] [ -3.540810331968e-14 3.84522388992e-15 1.185610699392e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.186062 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.753510674001929e-18 } }