{ "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" [ [ 0.3527209 0.4565602 1.167471 ] [ 0.6414148 2.926013 0.4472085 ] [ 0.2560781 2.125953 2.651252 ] [ 2.793307 0.1807352 2.367537 ] [ 2.546309 2.149048 0.8335699 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.527209e-11 4.565602e-11 1.167471e-10 ] [ 6.414148e-11 2.926013000000001e-10 4.472085e-11 ] [ 2.560781e-11 2.125953e-10 2.651252e-10 ] [ 2.793307e-10 1.807352e-11 2.367537e-10 ] [ 2.546309e-10 2.149048e-10 8.335699e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1572735 -2.4076146 0.3869416 ] [ -2.1896667 1.3574721 -0.6930641 ] [ -0.5979877 0.2135062 1.6877563 ] [ -2.2766905 1.2999144 -1.1614473 ] [ 4.9070714 -0.4632781 -0.2201865 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.51979926847399e-10 -3.857423855797256e-09 6.199487902425743e-10 ] [ -3.508232822987888e-09 2.174910079926911e-09 -1.110411106884239e-09 ] [ -9.580819203594018e-10 3.420746448541307e-10 2.704083707746294e-09 ] [ -3.647660321949776e-09 2.08269247788013e-09 -1.860843725682388e-09 ] [ 7.861995138449667e-09 -7.422533468639153e-10 -3.52777665422241e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -10.297127432689672 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.64978169699758e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4612304 0.2093644 0.7188763 ] [ 0.4908517 2.5895789 0.6161687 ] [ 0.6597288 2.3075968 2.9760024 ] [ 2.1450807 0.5457456 2.3706471 ] [ 2.8329383 2.1860237 0.7853438 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.612304e-11 2.093644e-11 7.188763e-11 ] [ 4.908517e-11 2.5895789e-10 6.161687e-11 ] [ 6.597288e-11 2.3075968e-10 2.9760024e-10 ] [ 2.1450807e-10 5.457456000000001e-11 2.3706471e-10 ] [ 2.8329383e-10 2.1860237e-10 7.853438000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.5e-06 -6.8e-06 -7e-07 ] [ -1.6e-06 9e-07 6e-07 ] [ -1.6e-06 6.8e-06 2.9e-06 ] [ -7e-07 -5.6e-06 -2.7e-06 ] [ 5.4e-06 4.7e-06 -2e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.403264951e-15 -1.08948011112e-14 -1.1215236438e-15 ] [ -2.5634826144e-15 1.4419589706e-15 9.613059803999998e-16 ] [ -2.5634826144e-15 1.08948011112e-14 4.6463122386e-15 ] [ -1.1215236438e-15 -8.972189150399999e-15 -4.3258769118e-15 ] [ 8.6517538236e-15 7.530230179799999e-15 -3.204353268e-16 ] ] } "relaxed-potential-energy" { "source-value" -12.674324432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.03065064577907e-18 } }