{ "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" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2523569 0.4976655 -0.5922897 ] [ -2.238108 -0.603966 0.930633 ] [ -5.3729075 -0.0165032 -0.294235 ] [ 0.8221219 -2.8269706 -1.6409638 ] [ 0.8391871 -1.576128 1.5208882 ] [ 4.4374907 2.3172271 -2.829166 ] [ 1.259859 2.2086752 2.9051334 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.043203286086745e-10 7.973480356479269e-10 -9.489527178988697e-10 ] [ -3.585844341968472e-09 -9.67660212930444e-10 1.491038447429322e-09 ] [ -8.608346853143355e-09 -2.644104142622879e-11 -4.7141644190499e-10 ] [ 1.317184498479684e-09 -4.529306240324959e-09 -2.629113857599849e-09 ] [ 1.344525963174221e-09 -2.525235453793152e-09 2.436731536966318e-09 ] [ 7.109643913132302e-09 3.712607115291581e-09 -4.532823658907244e-09 ] [ 2.018516651934606e-09 3.538687797535276e-09 4.654536852132975e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.080609 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.41617993662901e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4128076 1.1879691 1.4543991 ] [ 1.1465851 1.8451991 3.9002133 ] [ 1.3624048 3.6800021 1.9759877 ] [ 3.8261965 1.1944227 1.7312332 ] [ 3.605293 1.2311048 4.1501117 ] [ 3.8864433 3.6213085 1.6433987 ] [ 3.0454217 3.7131146 4.0452933 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4128076e-10 1.1879691e-10 1.4543991e-10 ] [ 1.1465851e-10 1.8451991e-10 3.9002133e-10 ] [ 1.3624048e-10 3.6800021e-10 1.9759877e-10 ] [ 3.8261965e-10 1.1944227e-10 1.7312332e-10 ] [ 3.605293e-10 1.2311048e-10 4.1501117e-10 ] [ 3.8864433e-10 3.6213085e-10 1.6433987e-10 ] [ 3.0454217e-10 3.7131146e-10 4.0452933e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.6e-06 3e-06 1.24e-05 ] [ -1.2e-06 2.66e-05 -1.9e-05 ] [ -9.6e-06 -8.2e-06 2.7e-06 ] [ 3.3e-06 -8.4e-06 -1.2e-05 ] [ 1.38e-05 -9.8e-06 4.2e-06 ] [ -7.1e-06 3e-07 1.43e-05 ] [ -4.8e-06 -3.6e-06 -2.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.972189150399999e-15 4.806529901999999e-15 1.98669902616e-14 ] [ -1.9226119608e-15 4.26178984644e-14 -3.0441356046e-14 ] [ -1.53808956864e-14 -1.31378483988e-14 4.3258769118e-15 ] [ 5.2871828922e-15 -1.34582837256e-14 -1.9226119608e-14 ] [ 2.21100375492e-14 -1.57013310132e-14 6.729141862799999e-15 ] [ -1.13754541014e-14 4.806529901999999e-16 2.29111258662e-14 ] [ -7.690447843199998e-15 -5.767835882399999e-15 -4.005441585e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.482183 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.800954511391202e-18 } }