{ "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" [ [ 0.4467477 0.434499 0.6495355 ] [ 1.045521 0.0858534 2.314559 ] [ 1.192787 2.478944 2.855919 ] [ 2.996113 0.2043739 2.091587 ] [ 2.935004 2.164039 0.1200611 ] [ 2.862412 2.380014 2.301415 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.467477000000001e-11 4.34499e-11 6.495355000000001e-11 ] [ 1.045521e-10 8.58534e-12 2.314559e-10 ] [ 1.192787e-10 2.478944e-10 2.855919e-10 ] [ 2.996113e-10 2.043739e-11 2.091587e-10 ] [ 2.935004e-10 2.164039e-10 1.200611e-11 ] [ 2.862412e-10 2.380014e-10 2.301415e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.4898344 0.0183794 -4.4124658 ] [ -2.2065505 -3.8828264 2.2459799 ] [ -4.5997457 4.2834213 3.9067167 ] [ 5.5377759 -5.9198805 1.6218783 ] [ 0.9391569 1.0819244 -4.1029137 ] [ 3.8191979 4.4189819 0.7408045 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.591331086143595e-09 2.944704498433152e-11 -7.069549544839568e-09 ] [ -3.53528362371455e-09 -6.220973680705029e-09 3.598456486566722e-09 ] [ -7.36960502216533e-09 6.862797463896743e-09 6.259250160828927e-09 ] [ 8.87249507820968e-09 -9.484694135029814e-09 2.598535494042849e-09 ] [ 1.504695228443004e-09 1.733433979153067e-09 -6.573592407300026e-09 ] [ 6.119029585588456e-09 7.079989487918364e-09 1.186899650483434e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.068095 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.613086642499338e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.4911862 -0.5080486 0.8858594 ] [ 1.0026695 0.3633513 2.4233645 ] [ 0.8199584 2.7169553 2.6920813 ] [ 3.2635838 -0.2177885 1.9811195 ] [ 3.8309274 3.248286 0.2356688 ] [ 3.0526317 2.1449678 2.1149831 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.911862000000001e-11 -5.080486e-11 8.858594e-11 ] [ 1.0026695e-10 3.633513e-11 2.4233645e-10 ] [ 8.199584e-11 2.7169553e-10 2.6920813e-10 ] [ 3.2635838e-10 -2.177885e-11 1.9811195e-10 ] [ 3.8309274e-10 3.248286e-10 2.356688e-11 ] [ 3.0526317e-10 2.1449678e-10 2.1149831e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.35e-05 -1.1e-06 -1.99e-05 ] [ 1.7e-05 2.01e-05 1.26e-05 ] [ -1.3e-06 -9e-07 3.5e-06 ] [ 1.36e-05 -1.52e-05 9.3e-06 ] [ -1.14e-05 -2.2e-06 2.6e-06 ] [ -4.4e-06 -6e-07 -8.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.16293843808e-14 -1.76239428288e-15 -3.188331475392e-14 ] [ 2.72370025536e-14 3.220375007808e-14 2.018742542208e-14 ] [ -2.08282960704e-15 -1.44195895872e-15 5.6076181728e-15 ] [ 2.178960204288e-14 -2.435308463616e-14 1.490024257344e-14 ] [ -1.826481347712e-14 -3.52478856576e-15 4.16565921408e-15 ] [ -7.04957713152e-15 -9.6130597248e-16 -1.297763062848e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.018079 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.726596830472745e-18 } }