{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.39006e-10 0.0 0.0 ] "source-value" [ 5.39006 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] "source-value" [ 0.23331 5.36322 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] "source-value" [ -0.160148 -0.0213292 5.4933 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -8.308401053993739e-09 1.629435893608629e-09 6.467239602775997e-09 ] [ 1.233179323263552e-09 -3.097878992088115e-10 -2.733414412429572e-09 ] [ 6.2828971662283e-10 -7.011533447659104e-10 1.86703724451431e-10 ] [ 7.911539181321324e-09 -7.68028549396959e-09 -5.386410293078344e-09 ] [ -7.25813198159655e-09 4.343653826856087e-09 8.009148106937336e-09 ] [ -7.28093143556352e-12 2.232268946338892e-09 2.016023808700164e-09 ] [ -1.614876754437757e-09 1.855839632111539e-09 -1.564403063917371e-09 ] [ 7.415682500255904e-09 -1.369971721188497e-09 -6.99488747343964e-09 ] ] "source-value" [ [ -5.1856961 1.0170139 4.0365335 ] [ 0.76969 -0.1933544 -1.7060631 ] [ 0.3921476 -0.4376255 0.1165313 ] [ 4.9379944 -4.7936572 -3.3619329 ] [ -4.5301697 2.7110955 4.9989171 ] [ -0.0045444 1.3932727 1.2583031 ] [ -1.0079268 1.158324 -0.9764236 ] [ 4.628505 -0.8550691 -4.3658654 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.05355e-11 4.24721e-12 -3.04949e-12 ] [ 1.33629e-10 1.36991e-10 1.45967e-10 ] [ -5.353e-12 2.71357e-10 2.83859e-10 ] [ 1.26119e-10 4.17265e-10 4.20892e-10 ] [ 2.69817e-10 -7.83338e-12 2.63037e-10 ] [ 3.99124e-10 1.24872e-10 4.05842e-10 ] [ 2.76699e-10 2.61469e-10 7.47626e-12 ] [ 4.02836e-10 3.96527e-10 1.47431e-10 ] ] "source-value" [ [ 0.105355 0.0424721 -0.0304949 ] [ 1.33629 1.36991 1.45967 ] [ -0.05353 2.71357 2.83859 ] [ 1.26119 4.17265 4.20892 ] [ 2.69817 -0.0783338 2.63037 ] [ 3.99124 1.24872 4.05842 ] [ 2.76699 2.61469 0.0747626 ] [ 4.02836 3.96527 1.47431 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.484008484110998e-18 "source-value" -34.228489 } }