{ "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" [ [ 3.052782 0.533749 2.863364 ] [ 2.918449 2.894241 2.581593 ] [ 2.15775 1.828991 4.761683 ] [ 4.980199 1.864144 2.667187 ] [ 4.882978 3.954202 1.645371 ] [ 4.390119 4.230009 4.149708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.052782e-10 5.33749e-11 2.863364e-10 ] [ 2.918449e-10 2.894241e-10 2.581593e-10 ] [ 2.15775e-10 1.828991e-10 4.761683e-10 ] [ 4.980199e-10 1.864144e-10 2.667187e-10 ] [ 4.882978e-10 3.954202e-10 1.645371e-10 ] [ 4.390119000000001e-10 4.230009e-10 4.149708000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0677697 0.9335445 0.7931901 ] [ -0.2503786 0.4548906 1.2599303 ] [ 0.7970715 -0.1348218 -1.7323588 ] [ -0.1404193 1.4069336 1.1964484 ] [ -0.4703064 -0.1626775 1.4106784 ] [ 0.1318025 -2.4978694 -2.9278884 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.085790289386298e-10 1.495703172376426e-09 1.270830634070014e-09 ] [ -4.011507392686349e-10 7.288150843416845e-10 2.01863087049753e-09 ] [ 1.277049322405987e-09 -2.160083359341734e-10 -2.775544768197143e-09 ] [ -2.249765195691014e-10 2.254156120937979e-09 1.916921654473567e-09 ] [ -7.535139186926132e-10 -2.60638087230192e-10 2.260155951947551e-09 ] [ 2.11170884062992e-10 -4.002027954491723e-09 -4.690994342791519e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.557475 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.453888244848048e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0639582 0.6035233 2.9360992 ] [ 2.7647989 2.8856045 2.3814019 ] [ 2.5671814 2.1477143 4.6170651 ] [ 4.9866442 1.9232052 2.8180942 ] [ 4.766828 4.0300455 1.8135325 ] [ 4.2328662 3.7152432 4.1027131 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0639582e-10 6.035233e-11 2.9360992e-10 ] [ 2.7647989e-10 2.8856045e-10 2.3814019e-10 ] [ 2.5671814e-10 2.1477143e-10 4.6170651e-10 ] [ 4.9866442e-10 1.9232052e-10 2.8180942e-10 ] [ 4.766828e-10 4.0300455e-10 1.8135325e-10 ] [ 4.2328662e-10 3.7152432e-10 4.1027131e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.9e-06 -3.97e-05 1.16e-05 ] [ -4.05e-05 2.47e-05 -3.97e-05 ] [ -3.92e-05 4.63e-05 2.89e-05 ] [ 7.16e-05 -6.8e-06 -3.56e-05 ] [ -1.42e-05 7e-06 1.66e-05 ] [ 1.25e-05 -3.15e-05 1.82e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.586154854592e-14 -6.360641184576e-14 1.858524880128e-14 ] [ -6.488815314240001e-14 3.957376253376001e-14 -6.360641184576e-14 ] [ -6.280532353535999e-14 7.418077754303999e-14 4.630290434112001e-14 ] [ 1.1471584604928e-13 -1.089480102144e-14 -5.703748770048e-14 ] [ -2.275090801536e-14 1.12152363456e-14 2.659613190528e-14 ] [ 2.002720776e-14 -5.04685635552e-14 2.915961449856e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.45441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.918028397745773e-18 } }