{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.7062082 -15.5484738 -5.9377232 ] [ -13.6119125 8.3593301 -17.203641 ] [ -13.8055071 -1.1223139 13.0557683 ] [ 12.4685105 -2.0088989 -1.3203015 ] [ 8.0281324 -6.2138355 8.9709123 ] [ 4.6283796 2.4468839 -5.6402838 ] [ 13.9986051 14.0873081 8.0752689 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.875541309625725e-08 -2.491140121148134e-08 -9.513281291821764e-09 ] [ -2.180868797187528e-08 1.339312325176972e-08 -2.756327140283634e-08 ] [ -2.211886071390841e-08 -1.798145091778869e-09 2.091764673684176e-08 ] [ 1.997675601929932e-08 -3.218610851130837e-09 -2.115356195707171e-09 ] [ 1.2862486039967e-08 -9.95566196359708e-09 1.437298595430716e-08 ] [ 7.415481587307655e-09 3.920340178391925e-09 -9.036730839036981e-09 ] [ 2.242823781503165e-08 2.257035568782647e-08 1.293800703825333e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 24.367079 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.904036429098665e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8336918 1.7941553 2.2333733 ] [ 1.3595949 3.7166723 2.3131634 ] [ 1.6573376 3.0581825 5.3574504 ] [ 4.8668865 1.9140455 2.4932727 ] [ 3.3661941 2.2102023 5.6489236 ] [ 4.5620451 3.9680415 2.0169296 ] [ 3.890023 5.0098866 3.7067369 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8336918e-10 1.7941553e-10 2.2333733e-10 ] [ 1.3595949e-10 3.7166723e-10 2.3131634e-10 ] [ 1.6573376e-10 3.0581825e-10 5.357450400000001e-10 ] [ 4.8668865e-10 1.9140455e-10 2.4932727e-10 ] [ 3.3661941e-10 2.2102023e-10 5.6489236e-10 ] [ 4.5620451e-10 3.9680415e-10 2.0169296e-10 ] [ 3.890023e-10 5.0098866e-10 3.7067369e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.3434843 -0.1398163 0.1152639 ] [ 0.8970637 -0.65244 -0.8051953 ] [ -0.0309146 -1.0593958 -0.3078101 ] [ -0.9541659 2.8706694 -0.839437 ] [ 0.4031446 0.2643453 1.927932 ] [ 1.5567627 -0.4909365 1.1964771 ] [ 0.4715938 -0.792426 -1.2872305 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.754675756671853e-09 -2.240104070667591e-10 1.846731258022291e-10 ] [ 1.437254487508345e-09 -1.045324114474752e-09 -1.290065084838042e-09 ] [ -4.953064936138368e-11 -1.697339182933713e-09 -4.931661458661101e-10 ] [ -1.528742297344591e-09 4.599319398725964e-09 -1.34492633603449e-09 ] [ 6.459088529217677e-10 4.235278594783622e-10 3.088887576892186e-09 ] [ 2.494208802073484e-09 -7.865669825973792e-10 1.916967636942584e-09 ] [ 7.555765608742311e-10 -1.269606410914061e-09 -2.062370612680694e-09 ] ] } "relaxed-potential-energy" { "source-value" -26.253092 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.206209022611151e-18 } }