{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.4782146 0.2463157 2.780652 ] [ 1.177721 1.395115 2.585121 ] [ 0.0381624 2.281468 2.997086 ] [ 2.63123 2.94255 0.0860101 ] [ 1.942246 2.110601 1.196975 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.782146e-11 2.463157e-11 2.780652e-10 ] [ 1.177721e-10 1.395115e-10 2.585121e-10 ] [ 3.81624e-12 2.281468e-10 2.997086e-10 ] [ 2.63123e-10 2.94255e-10 8.601010000000001e-12 ] [ 1.942246e-10 2.110601e-10 1.196975e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -24.7118413 -43.1095374 5.5908412 ] [ 41.0703712 18.3723056 -0.9302759 ] [ -21.8342752 19.3063108 7.1046474 ] [ 10.2983321 13.3744423 -17.2243726 ] [ -4.8225867 -7.9435213 5.4591599 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.959273438777988e-08 -6.906909295578323e-08 8.957515061245416e-09 ] [ 6.580198854421764e-08 2.943567850251292e-08 -1.490466297873679e-09 ] [ -3.498236525755325e-08 3.093211979765854e-08 1.138289996330751e-08 ] [ 1.649974692385417e-08 2.142821876929858e-08 -2.759648708766811e-08 ] [ -7.726635662521022e-09 -1.272692411368682e-08 8.746538360988866e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 13.739573 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.201322264037492e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.288872 0.4156862 2.7274935 ] [ 2.3749971 1.5067593 2.785846 ] [ 0.2504641 2.7397542 2.3493421 ] [ 2.2181612 3.1747309 1.1308414 ] [ 1.1350797 1.139119 0.6523211 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.88872e-11 4.156862e-11 2.7274935e-10 ] [ 2.3749971e-10 1.5067593e-10 2.785846e-10 ] [ 2.504641e-11 2.7397542e-10 2.3493421e-10 ] [ 2.2181612e-10 3.1747309e-10 1.1308414e-10 ] [ 1.1350797e-10 1.139119e-10 6.523211000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.7e-06 1.41e-05 -6.7e-06 ] [ 2.02e-05 -6.6e-06 2.3e-06 ] [ -6e-06 2.49e-05 -2.8e-06 ] [ -2.75e-05 -1.99e-05 2.29e-05 ] [ 5.6e-06 -1.24e-05 -1.57e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.233675998016e-14 2.259069035328e-14 -1.073458335936e-14 ] [ 3.236396774016e-14 -1.057436569728e-14 3.68500622784e-15 ] [ -9.6130597248e-15 3.989419785791999e-14 -4.48609453824e-15 ] [ -4.4059857072e-14 -3.188331475392e-14 3.668984461632e-14 ] [ 8.972189076479999e-15 -1.986699009792e-14 -2.515417294656e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.115797 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.383123628295878e-18 } }