{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.860772 3.213277 0.634813 ] [ 3.47304 1.055338 1.294101 ] [ 4.886118 2.711251 1.984131 ] [ 3.680898 4.652345 1.961095 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.860772e-10 3.213277e-10 6.34813e-11 ] [ 3.47304e-10 1.055338e-10 1.294101e-10 ] [ 4.886118e-10 2.711251e-10 1.984131e-10 ] [ 3.680898e-10 4.652345e-10 1.961095e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1979451 -2.1799597 -3.0631461 ] [ -0.4848558 -1.0104391 -0.0972909 ] [ 1.6248553 -0.2031531 0.616927 ] [ 1.0579456 3.3935519 2.54351 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.521496253021918e-09 -3.492680465626182e-09 -4.907701067514698e-09 ] [ -7.768246272192806e-10 -1.618901902762193e-09 -1.558772053965907e-10 ] [ 2.60330517384297e-09 -3.254871472630445e-10 9.884260161402817e-10 ] [ 1.695015706398228e-09 5.43706951565142e-09 4.075152256771008e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.4897822 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.520430717732399e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8949729 3.1620107 0.4830876 ] [ 3.3963224 1.0226719 1.3827944 ] [ 4.9570367 2.7382718 1.8912184 ] [ 3.652496 4.7092566 2.1170396 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8949729e-10 3.1620107e-10 4.830876e-11 ] [ 3.3963224e-10 1.0226719e-10 1.3827944e-10 ] [ 4.9570367e-10 2.7382718e-10 1.8912184e-10 ] [ 3.652496e-10 4.709256599999999e-10 2.1170396e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.2e-06 2.81e-05 -1.97e-05 ] [ -2.1e-06 -7.5e-06 2.52e-05 ] [ 1.51e-05 -5.8e-06 -1.19e-05 ] [ -1.61e-05 -1.48e-05 6.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.126965186560001e-15 4.502116304448e-14 -3.156287942976e-14 ] [ -3.36457090368e-15 -1.2016324656e-14 4.037485084416e-14 ] [ 2.419286697408e-14 -9.292624400640001e-15 -1.906590178752e-14 ] [ -2.579504359488e-14 -2.371221398784e-14 1.009371271104e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.026357 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.606399477719443e-18 } }