{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.54692 0 0 ] "si-unit" "m" "si-value" [ 5.54692e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.123956 5.52099 0 ] "si-unit" "m" "si-value" [ 1.23956e-11 5.520990000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.202669 -0.109883 5.46638 ] "si-unit" "m" "si-value" [ 2.02669e-11 -1.09883e-11 5.466380000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.000314992 -0.0047744 0.0104344 ] [ 1.40487 1.33719 1.19876 ] [ 0.131099 2.68123 2.80213 ] [ 1.67848 4.08836 4.2255 ] [ 2.84099 -0.0865799 2.6392 ] [ 4.04763 1.27038 4.03721 ] [ 2.8307 2.64898 -0.0339665 ] [ 4.22323 4.11032 1.34741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.14992e-14 -4.7744e-13 1.04344e-12 ] [ 1.40487e-10 1.33719e-10 1.19876e-10 ] [ 1.31099e-11 2.68123e-10 2.80213e-10 ] [ 1.67848e-10 4.08836e-10 4.225500000000001e-10 ] [ 2.84099e-10 -8.65799e-12 2.639200000000001e-10 ] [ 4.04763e-10 1.27038e-10 4.03721e-10 ] [ 2.8307e-10 2.64898e-10 -3.39665e-12 ] [ 4.22323e-10 4.11032e-10 1.34741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.664719 1.0486427 -0.9280581 ] [ -1.397319 0.7031886 2.79343 ] [ 0.6856627 0.7560422 1.1324613 ] [ -0.4919436 -1.274148 -2.5032289 ] [ -2.6283946 0.1322006 -0.2256434 ] [ 4.4570078 -2.0934613 -2.265555 ] [ 0.5830048 3.2259076 2.6601594 ] [ 2.4567008 -2.4983723 -0.6635652 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.871527151975845e-09 1.680110831354672e-09 -1.486913002814435e-09 ] [ -2.238751852044246e-09 1.126632344215173e-09 4.475568274714619e-09 ] [ 1.098552756745352e-09 1.211313147157955e-09 1.814403033769264e-09 ] [ -7.881805411658423e-10 -2.041410153857832e-09 -4.010614853133521e-09 ] [ -4.211152413051775e-09 2.118087123207804e-10 -3.615205830963156e-10 ] [ 7.140913754715745e-09 -3.354094779043264e-09 -3.629819284041869e-09 ] [ 9.340766680698431e-10 5.168473780163018e-09 4.262045233395459e-09 ] [ 3.936068618489107e-09 -4.002833722092838e-09 -1.063148658575537e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -322.80366 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.171884814216804e-17 } }