{ "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" [ [ 2.18156 2.402287 4.241396 ] [ 0.8961477 3.559566 3.04631 ] [ 5.464384 2.707991 2.659357 ] [ 3.611912 1.298545 2.707748 ] [ 3.448769 3.905478 2.40265 ] [ 4.321729 3.291274 4.492065 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.18156e-10 2.402287e-10 4.241396e-10 ] [ 8.961477e-11 3.559566e-10 3.04631e-10 ] [ 5.464384e-10 2.707991e-10 2.659357e-10 ] [ 3.611912e-10 1.298545e-10 2.707748e-10 ] [ 3.448769e-10 3.905478e-10 2.40265e-10 ] [ 4.321729000000001e-10 3.291274e-10 4.492065e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.894847 -1.8761141 1.5736743 ] [ -1.1135469 1.729723 -1.8526628 ] [ 0.8406174 -0.4772587 -0.8552402 ] [ -0.220474 0.5581778 0.0861845 ] [ -1.0371979 -0.2066274 -0.2460188 ] [ -0.3642455 0.2720995 1.2940629 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.035879563393018e-09 -3.005866148973233e-09 2.521304172213806e-09 ] [ -1.784098809344316e-09 2.771321751060038e-09 -2.968293024385866e-09 ] [ 1.346817545317682e-09 -7.646527312134009e-10 -1.370245853608316e-09 ] [ -3.532382882942592e-10 8.942994214095782e-10 1.380827909753376e-10 ] [ -1.661774226522856e-09 -3.310535894966899e-10 -3.941655696372711e-10 ] [ -5.835856243316064e-10 4.359514574313696e-10 2.073317324224648e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.2277429304906775 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.977944123584644e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.957178 1.7996252 4.5033111 ] [ 1.7297738 3.3872552 3.2423475 ] [ 4.9117263 2.3344579 3.2741612 ] [ 2.939746 1.6754237 2.1365844 ] [ 3.6843235 3.9220884 2.0131979 ] [ 3.7017541 4.0462906 4.3799238 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.957178e-10 1.7996252e-10 4.503311100000001e-10 ] [ 1.7297738e-10 3.3872552e-10 3.2423475e-10 ] [ 4.9117263e-10 2.3344579e-10 3.2741612e-10 ] [ 2.939746e-10 1.6754237e-10 2.1365844e-10 ] [ 3.6843235e-10 3.9220884e-10 2.0131979e-10 ] [ 3.7017541e-10 4.0462906e-10 4.379923800000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.4e-06 7.4e-06 -9.1e-06 ] [ -7.5e-06 4.8e-06 1e-06 ] [ 1.55e-05 -2.9e-06 -6e-07 ] [ 4e-07 -2.5e-06 1.5e-06 ] [ -5.3e-06 -5.1e-06 7.1e-06 ] [ -7e-07 -1.7e-06 1e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.84522388992e-15 1.185610699392e-14 -1.457980724928e-14 ] [ -1.2016324656e-14 7.69044777984e-15 1.6021766208e-15 ] [ 2.48337376224e-14 -4.646312200320001e-15 -9.6130597248e-16 ] [ 6.408706483200001e-16 -4.005441552e-15 2.4032649312e-15 ] [ -8.491536090240001e-15 -8.17110076608e-15 1.137545400768e-14 ] [ -1.12152363456e-15 -2.72370025536e-15 1.6021766208e-16 ] ] } "relaxed-potential-energy" { "source-value" -8.32264193049068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.333434232432195e-18 } }