{ "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" [ [ 1.931726 1.779285 1.793394 ] [ 2.022352 0.7174538 3.630998 ] [ 4.124201 0.9725878 2.711634 ] [ 3.467636 2.844975 3.645464 ] [ 5.471294 3.704408 2.165903 ] [ 3.262896 3.451778 1.529715 ] [ 3.831227 5.45457 3.339943 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.931726e-10 1.779285e-10 1.793394e-10 ] [ 2.022352e-10 7.174538e-11 3.630998e-10 ] [ 4.124201e-10 9.725878e-11 2.711634e-10 ] [ 3.467636e-10 2.844975e-10 3.645464e-10 ] [ 5.471294000000001e-10 3.704408e-10 2.165903e-10 ] [ 3.262896e-10 3.451778e-10 1.529715e-10 ] [ 3.831227000000001e-10 5.454570000000001e-10 3.339943e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1505546 -0.8670422 -2.9455121 ] [ -1.697379 -2.3700028 2.4125105 ] [ 2.4934393 -1.3469115 -0.9008753 ] [ 0.9316312 2.0004371 4.0844991 ] [ -0.0039841 -0.630219 0.238706 ] [ 0.147492 3.0422496 -2.488033 ] [ 0.2793552 0.1714887 -0.4012952 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.445568330261216e-09 -1.389154753531955e-09 -4.719230661784271e-09 ] [ -2.719500972842286e-09 -3.797163108674574e-09 3.865267952379656e-09 ] [ 3.994930184757316e-09 -2.157990133365891e-09 -1.44336135580774e-09 ] [ 1.492637740145381e-09 3.205053579406721e-09 6.544089019614029e-09 ] [ -6.383231927519399e-12 -1.009722156102846e-09 3.82449175595604e-10 ] [ 2.36308236101928e-10 4.874221223915846e-09 -3.986268337220922e-09 ] [ 4.475763740263968e-10 2.747551881350358e-10 -6.429457927763568e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -14.575161005765542 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.335198240022549e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5177953 1.5663087 1.6169787 ] [ 1.5935911 1.5813262 3.7390299 ] [ 4.5573593 1.4713379 2.6676922 ] [ 3.5889143 2.4861065 4.4856913 ] [ 5.2075153 3.4797751 1.7811561 ] [ 2.9115796 3.8166577 1.1609289 ] [ 3.7345773 4.5235454 3.365574 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5177953e-10 1.5663087e-10 1.6169787e-10 ] [ 1.5935911e-10 1.5813262e-10 3.7390299e-10 ] [ 4.5573593e-10 1.4713379e-10 2.6676922e-10 ] [ 3.5889143e-10 2.4861065e-10 4.4856913e-10 ] [ 5.2075153e-10 3.4797751e-10 1.7811561e-10 ] [ 2.9115796e-10 3.8166577e-10 1.1609289e-10 ] [ 3.7345773e-10 4.5235454e-10 3.365574e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.69e-05 1.4e-05 2.26e-05 ] [ 1.82e-05 6.3e-06 -2.3e-05 ] [ -6e-07 -1.4e-05 1.04e-05 ] [ -1.52e-05 -5.4e-06 -3.9e-06 ] [ -1.32e-05 -3.2e-06 -9.4e-06 ] [ -6.2e-06 8.4e-06 2.67e-05 ] [ -0.0 -6.1e-06 -2.34e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.70767851146e-14 2.243047287599999e-14 3.62091919284e-14 ] [ 2.915961473879999e-14 1.00937127942e-14 -3.6850062582e-14 ] [ -9.613059803999998e-16 -2.243047287599999e-14 1.66626369936e-14 ] [ -2.43530848368e-14 -8.6517538236e-15 -6.248488872599999e-15 ] [ -2.11487315688e-14 -5.1269652288e-15 -1.50604603596e-14 ] [ -9.9334951308e-15 1.34582837256e-14 4.277811612779999e-14 ] [ 0.0 -9.773277467399999e-15 -3.749093323559999e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.329594005765543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.257160049474401e-18 } }