{ "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" [ 5.43808 0 0 ] "si-unit" "m" "si-value" [ 5.438080000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.036104 5.43472 0 ] "si-unit" "m" "si-value" [ -3.6104e-12 5.434720000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0778792 -0.0548884 5.50823 ] "si-unit" "m" "si-value" [ 7.78792e-12 -5.48884e-12 5.50823e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0442028 -0.0162787 0.186746 ] [ 1.46625 1.46109 1.35616 ] [ 0.0256733 2.72542 2.65757 ] [ 1.37985 4.00669 4.1027 ] [ 2.74744 0.0130417 2.60748 ] [ 4.13581 1.33996 3.97093 ] [ 2.70334 2.70384 0.0742117 ] [ 4.06803 4.03744 1.33105 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.42028e-12 -1.62787e-12 1.86746e-11 ] [ 1.46625e-10 1.46109e-10 1.35616e-10 ] [ 2.56733e-12 2.72542e-10 2.65757e-10 ] [ 1.37985e-10 4.00669e-10 4.1027e-10 ] [ 2.74744e-10 1.30417e-12 2.60748e-10 ] [ 4.13581e-10 1.33996e-10 3.97093e-10 ] [ 2.70334e-10 2.70384e-10 7.42117e-12 ] [ 4.068030000000001e-10 4.03744e-10 1.33105e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.240599 1.4451686 -3.026392 ] [ -1.8293685 -1.7703384 0.6576147 ] [ 0.1705197 0.1906814 0.6238324 ] [ 0.1365684 0.7488702 0.6125236 ] [ -0.0927638 -0.6434635 1.3327649 ] [ -0.0330586 -0.5230539 1.885755 ] [ 0.8775928 0.8193073 -3.2008488 ] [ -0.4700891 -0.2671717 1.1147502 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.987658713587859e-09 2.315415344034267e-09 -4.848814507776153e-09 ] [ -2.930971441527965e-09 -2.836394795384479e-09 1.053614897834406e-09 ] [ 2.732026767258298e-10 3.055052811014131e-10 9.994896865775538e-10 ] [ 2.188066976200627e-10 1.19982232645382e-09 9.813709916082508e-10 ] [ -1.48623991616567e-10 -1.030942176038141e-09 2.13532476380285e-09 ] [ -5.296571603637888e-11 -8.38024729998261e-10 3.021312573556704e-09 ] [ 1.40605866674241e-09 1.312675001310772e-09 -5.128325114075735e-09 ] [ -7.531657657129132e-10 -4.280562514793914e-10 1.786026708472124e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.806149 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.73677748086813e-18 } }