{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.6218239 -7.2640544 -15.4922898 ] [ -1.9328095 -0.0474234 5.0095967 ] [ -11.5323515 -12.6578734 2.4617778 ] [ -11.0161644 7.2933604 -2.2728365 ] [ 13.8603188 -10.2445818 8.6909402 ] [ 5.9777152 10.0857667 -8.3111416 ] [ 7.2651153 12.8348058 9.913953 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.200624956434677e-09 -1.163829813189937e-08 -2.482138452021831e-08 ] [ -3.096702193360138e-09 -7.598066275884672e-11 8.026258712376832e-09 ] [ -1.847686395614781e-08 -2.028014883052621e-08 3.944202836764459e-09 ] [ -1.764984105256926e-08 1.168525151994854e-08 -3.641485503200899e-09 ] [ 2.220667873819471e-08 -1.641362944983318e-08 1.392442120121088e-08 ] [ 9.577355539240796e-09 1.615917960958317e-08 -1.33159167636783e-08 ] [ 1.163999788107638e-08 2.056362578526824e-08 1.588390371631002e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.1288579 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.217336218785384e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.9975505 1.5766497 1.4768831 ] [ 1.4291181 3.000074 4.6198444 ] [ 1.732723 0.8479457 3.609704 ] [ 0.8583914 4.3443322 2.7198482 ] [ 4.3159911 1.1885198 3.6920927 ] [ 3.0613653 3.9404526 1.8674856 ] [ 3.7822857 3.484737 4.16013 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9975505e-10 1.5766497e-10 1.4768831e-10 ] [ 1.4291181e-10 3.000074e-10 4.6198444e-10 ] [ 1.732723e-10 8.479457e-11 3.609704e-10 ] [ 8.583914e-11 4.3443322e-10 2.7198482e-10 ] [ 4.3159911e-10 1.1885198e-10 3.6920927e-10 ] [ 3.0613653e-10 3.9404526e-10 1.8674856e-10 ] [ 3.7822857e-10 3.484737e-10 4.16013e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8e-06 1.71e-05 1.56e-05 ] [ 2.09e-05 7.3e-06 -2.61e-05 ] [ -2.66e-05 -1.05e-05 1.07e-05 ] [ 1.6e-06 -3.23e-05 5.5e-06 ] [ -1.52e-05 5.5e-06 -1.2e-05 ] [ 3.6e-06 7.5e-06 7.2e-06 ] [ 7.8e-06 5.4e-06 -1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.28174129664e-14 2.739722021568e-14 2.499395528448e-14 ] [ 3.348549137472e-14 1.169588933184e-14 -4.181680980288e-14 ] [ -4.261789811328e-14 -1.68228545184e-14 1.714328984256e-14 ] [ 2.56348259328e-15 -5.175030485184e-14 8.8119714144e-15 ] [ -2.435308463616e-14 8.8119714144e-15 -1.92261194496e-14 ] [ 5.76783583488e-15 1.2016324656e-14 1.153567166976e-14 ] [ 1.249697764224e-14 8.65175375232e-15 -1.6021766208e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.086282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057959479839587e-18 } }