{ "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" [ [ 0.3126518 0.5217928 0.1846885 ] [ 0.8333114 2.588069 2.680495 ] [ 2.642381 0.0430457 2.992394 ] [ 2.45603 2.243401 1.184533 ] [ 2.245972 1.834771 2.762862 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.126518e-11 5.217928e-11 1.846885e-11 ] [ 8.333114000000001e-11 2.588069e-10 2.680495e-10 ] [ 2.642381e-10 4.30457e-12 2.992394e-10 ] [ 2.45603e-10 2.243401e-10 1.184533e-10 ] [ 2.245972e-10 1.834771e-10 2.762862e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.0226748 2.44675 1.2781568 ] [ -710.8301571 335.4436663 -13.5555435 ] [ 10.4872223 -165.233942 9.6767699 ] [ 88.8752569 105.636808 -512.3610112 ] [ 608.4450031 -278.2932823 514.961628 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.842858896841315e-09 3.920125646942401e-09 2.047832942676542e-09 ] [ -1.138875459065211e-06 5.374399997412968e-07 -2.171837487793741e-08 ] [ 1.680238238619241e-08 -2.647339588350232e-07 1.550389449864115e-08 ] [ 1.423938587727739e-07 1.692488240735384e-07 -8.20892833554087e-07 ] [ 9.748363590094036e-07 -4.458749906267545e-07 8.250594809907067e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 267.92202 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.2925839664151e-17 } "relaxed-configuration-positions" { "source-value" [ [ 1.3364394 -0.0250386 0.3911311 ] [ 0.5484955 3.4194912 2.8252658 ] [ 2.1985429 -0.5397585 2.7128307 ] [ 1.7528018 2.4572732 0.7241103 ] [ 2.6540666 1.9191122 3.1516346 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3364394e-10 -2.50386e-12 3.911311e-11 ] [ 5.484955e-11 3.4194912e-10 2.8252658e-10 ] [ 2.1985429e-10 -5.397585000000001e-11 2.7128307e-10 ] [ 1.7528018e-10 2.4572732e-10 7.241103e-11 ] [ 2.6540666e-10 1.9191122e-10 3.1516346e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.46e-05 2.5e-05 -2.4e-06 ] [ -5.6e-06 6e-06 9e-06 ] [ -8.4e-06 -1.36e-05 1.2e-05 ] [ -3.7e-06 -2.33e-05 5.1e-06 ] [ 3e-06 5.9e-06 -2.37e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.339177866368e-14 4.005441552e-14 -3.84522388992e-15 ] [ -8.972189076479999e-15 9.6130597248e-15 1.44195895872e-14 ] [ -1.345828361472e-14 -2.178960204288e-14 1.92261194496e-14 ] [ -5.928053496960001e-15 -3.733071526464e-14 8.17110076608e-15 ] [ 4.8065298624e-15 9.45284206272e-15 -3.797158591296e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.178089 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.592015596502165e-18 } }