{ "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" [ [ 4.1858581 -6.6402715 7.6273254 ] [ -6.6976665 5.8544412 -5.9831966 ] [ 8.6126477 -2.5705726 -4.5649546 ] [ -2.0625263 -6.2990543 -3.245439 ] [ -4.7294327 5.7583765 -5.9014611 ] [ 0.6911197 3.8970807 12.0677259 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.706483985806308e-09 -1.063888775306455e-08 1.222032243511401e-08 ] [ -1.073084468021536e-08 9.379848818488297e-09 -9.58613771017005e-09 ] [ 1.379898278812689e-08 -4.118511321789071e-09 -7.313863535133416e-09 ] [ -3.304531417645127e-09 -1.009219753260971e-08 -5.199766490032531e-09 ] [ -7.57738650158702e-09 9.225936202064132e-09 -9.45518300298065e-09 ] [ 1.10729582551431e-09 6.243811586910899e-09 1.933462830320264e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.8658123 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.420459719146108e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5046709 2.199547 4.2559462 ] [ 0.613672 3.6718575 3.2750609 ] [ 5.8432986 2.1051405 3.2425943 ] [ 3.6072815 1.4217918 2.1227379 ] [ 2.9913717 3.8653298 2.2676743 ] [ 4.3642069 3.9014745 4.3855124 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5046709e-10 2.199547e-10 4.2559462e-10 ] [ 6.13672e-11 3.6718575e-10 3.2750609e-10 ] [ 5.8432986e-10 2.1051405e-10 3.2425943e-10 ] [ 3.6072815e-10 1.4217918e-10 2.1227379e-10 ] [ 2.9913717e-10 3.8653298e-10 2.2676743e-10 ] [ 4.3642069e-10 3.9014745e-10 4.3855124e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.8e-06 -7e-06 -1.29e-05 ] [ 9.3e-06 -1.3e-06 -6e-07 ] [ 1.1e-06 -8.9e-06 -3.4e-06 ] [ -5.2e-06 8.9e-06 5.7e-06 ] [ -8.3e-06 -1.03e-05 -7e-07 ] [ 4.9e-06 1.86e-05 1.19e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.88391791744e-15 -1.12152363456e-14 -2.066807840832e-14 ] [ 1.490024257344e-14 -2.08282960704e-15 -9.6130597248e-16 ] [ 1.76239428288e-15 -1.425937192512e-14 -5.44740051072e-15 ] [ -8.33131842816e-15 1.425937192512e-14 9.13240673856e-15 ] [ -1.329806595264e-14 -1.650241919424e-14 -1.12152363456e-15 ] [ 7.850665441919999e-15 2.980048514688e-14 1.906590178752e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.772469 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.527028108409276e-18 } }