{ "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" [ 5.5612 0 0 ] "si-unit" "m" "si-value" [ 5.5612e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0917257 5.43287 0 ] "si-unit" "m" "si-value" [ -9.17257e-12 5.432870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0143429 0.0662566 5.45634 ] "si-unit" "m" "si-value" [ -1.43429e-12 6.62566e-12 5.45634e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00266051 0.00288647 -0.0538151 ] [ 1.22385 1.29926 1.47737 ] [ 0.0401458 2.69595 2.81688 ] [ 1.24418 4.12341 4.00905 ] [ 2.75119 0.03974 2.60779 ] [ 4.10264 1.45712 4.11323 ] [ 2.59294 2.8546 -0.123929 ] [ 4.00842 4.13916 1.33335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.66051e-13 2.88647e-13 -5.38151e-12 ] [ 1.22385e-10 1.29926e-10 1.47737e-10 ] [ 4.01458e-12 2.69595e-10 2.81688e-10 ] [ 1.24418e-10 4.12341e-10 4.00905e-10 ] [ 2.75119e-10 3.974e-12 2.60779e-10 ] [ 4.10264e-10 1.45712e-10 4.11323e-10 ] [ 2.59294e-10 2.8546e-10 -1.23929e-11 ] [ 4.00842e-10 4.139160000000001e-10 1.33335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7899998999999999 -0.22616849999999997 0.24051279999999997 ] [ -0.9612715999999999 -0.6330832999999999 1.1452843999999998 ] [ 1.7366416999999998 -0.45819589999999993 1.2458344999999997 ] [ -0.3151593999999999 -1.0035437999999999 -0.17493659999999997 ] [ -0.18548829999999997 -0.7687080999999999 -1.4015761999999998 ] [ 0.8469430999999998 0.5200568999999999 -0.05818659999999999 ] [ -0.9069563999999999 1.5135692999999997 -1.0326271999999999 ] [ -1.0047089999999999 1.0560734999999999 0.03569499999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.265719380642336e-09 -3.623618860468289e-10 3.853439883379152e-10 ] [ -1.540126896447794e-09 -1.014311270635612e-09 1.834947904964709e-09 ] [ 2.782406753370038e-09 -7.341107647746004e-10 1.996046925731072e-09 ] [ -5.049410266654594e-10 -1.607854427555569e-09 -2.802793329514043e-10 ] [ -2.971850201403821e-10 -1.231606156186535e-09 -2.24557263841051e-09 ] [ 1.356952445147525e-09 8.332230135304744e-10 -9.322521093190436e-11 ] [ -1.453104352136757e-09 2.425005366399735e-09 -1.654451171472845e-09 ] [ -1.609721283769505e-09 1.692016285486599e-09 5.718969495062997e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -0.68215760156248 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.092936969928887e-19 } }