{ "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" [ [ 2.700129 2.133533 1.415237 ] [ 2.985807 2.812498 3.555959 ] [ 1.950344 4.41901 2.566342 ] [ 5.113997 2.527784 1.58139 ] [ 5.483026 3.06067 3.469124 ] [ 3.944653 4.730231 1.719663 ] [ 3.598129 4.831394 3.870985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.700129e-10 2.133533e-10 1.415237e-10 ] [ 2.985807e-10 2.812498e-10 3.555959e-10 ] [ 1.950344e-10 4.41901e-10 2.566342e-10 ] [ 5.113997e-10 2.527784e-10 1.58139e-10 ] [ 5.483026e-10 3.06067e-10 3.469124e-10 ] [ 3.944653e-10 4.730231e-10 1.719663e-10 ] [ 3.598129e-10 4.831394000000001e-10 3.870985e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.6104428 -7.6705089 -5.1692313 ] [ -8.1900471 -15.9641998 14.8569335 ] [ -14.0120039 5.4333152 -3.5347745 ] [ 5.2088297 -3.5827783 -8.4210249 ] [ 8.3207401 -2.9765221 7.18141 ] [ 7.1237095 15.102369 -15.7688961 ] [ 4.1592145 9.6583249 10.8555832 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.18239042409569e-09 -1.228951002921833e-08 -8.28202153636759e-09 ] [ -1.312190198687084e-08 -2.557746768934003e-08 2.380343151048032e-08 ] [ -2.244970505913842e-08 8.705130586877275e-09 -5.66333306370001e-09 ] [ 8.345465167068678e-09 -5.740243629769569e-09 -1.349196921795466e-08 ] [ 1.333129525597305e-08 -4.76891411991452e-09 1.150588720637933e-08 ] [ 1.141344081427086e-08 2.419666253049468e-08 -2.52645566672443e-08 ] [ 6.663796232792362e-09 1.54743423508705e-08 1.739256160818925e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 6.2377633 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.993998525344258e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.5495666 2.0726309 1.729076 ] [ 3.0359706 1.7290301 4.0721012 ] [ 1.6977904 4.3271444 1.5391724 ] [ 4.8482931 2.94915 1.4137044 ] [ 5.1313312 2.9190125 3.8776182 ] [ 3.9327879 5.2460178 1.6089964 ] [ 4.5803452 5.2721343 3.9380315 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5495666e-10 2.0726309e-10 1.729076e-10 ] [ 3.035970600000001e-10 1.7290301e-10 4.0721012e-10 ] [ 1.6977904e-10 4.3271444e-10 1.5391724e-10 ] [ 4.8482931e-10 2.94915e-10 1.4137044e-10 ] [ 5.1313312e-10 2.9190125e-10 3.8776182e-10 ] [ 3.9327879e-10 5.2460178e-10 1.6089964e-10 ] [ 4.5803452e-10 5.272134300000001e-10 3.9380315e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2e-06 1e-07 9e-07 ] [ 1.1e-06 8e-07 -1.2e-06 ] [ 1.5e-06 -5e-07 -1e-07 ] [ 1.2e-06 4e-07 -7e-07 ] [ -8e-07 1e-07 1.3e-06 ] [ -1e-06 2e-07 7e-07 ] [ 0.0 -1e-06 -1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.2043532416e-15 1.6021766208e-16 1.44195895872e-15 ] [ 1.76239428288e-15 1.28174129664e-15 -1.92261194496e-15 ] [ 2.4032649312e-15 -8.010883104e-16 -1.6021766208e-16 ] [ 1.92261194496e-15 6.408706483200001e-16 -1.12152363456e-15 ] [ -1.28174129664e-15 1.6021766208e-16 2.08282960704e-15 ] [ -1.6021766208e-15 3.2043532416e-16 1.12152363456e-15 ] [ 0.0 -1.6021766208e-15 -1.6021766208e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.267203 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.805204922840762e-18 } }