{ "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" [ 5.43103 0 0 ] "si-unit" "m" "si-value" [ 5.43103e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00138287 5.43667 0 ] "si-unit" "m" "si-value" [ 1.38287e-13 5.43667e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0279747 -0.147199 5.47761 ] "si-unit" "m" "si-value" [ -2.79747e-12 -1.47199e-11 5.477610000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0723979 0.065909 0.162895 ] [ 1.32756 1.26807 1.42197 ] [ -0.0160699 2.71544 2.70238 ] [ 1.33005 4.08077 4.07687 ] [ 2.7682 0.027954 2.60436 ] [ 4.1716 1.44154 4.20195 ] [ 2.84836 2.7461 0.066427 ] [ 4.17903 4.06877 1.34805 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.239790000000001e-12 6.5909e-12 1.62895e-11 ] [ 1.32756e-10 1.26807e-10 1.42197e-10 ] [ -1.60699e-12 2.71544e-10 2.70238e-10 ] [ 1.33005e-10 4.08077e-10 4.07687e-10 ] [ 2.7682e-10 2.7954e-12 2.60436e-10 ] [ 4.1716e-10 1.44154e-10 4.20195e-10 ] [ 2.84836e-10 2.7461e-10 6.6427e-12 ] [ 4.17903e-10 4.06877e-10 1.34805e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2510261 0.6057623 -4.4278578 ] [ 0.9102396 3.5851034 -0.6043796 ] [ 1.0083777 -0.4441795 0.7367449 ] [ 1.0433276 0.0946301 0.9258001 ] [ 1.2446276 -1.3086241 3.2490212 ] [ 0.5927843 -3.1706625 -2.2076862 ] [ -4.1411275 1.006871 0.4641319 ] [ -1.9092553 -0.3689006 1.8642255 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.004364769430603e-09 9.705381948220358e-10 -7.094210247386922e-09 ] [ 1.458364606446344e-09 5.74396885063059e-09 -9.683228652084558e-10 ] [ 1.615599175876076e-09 -7.116540103386337e-10 1.180395454273634e-09 ] [ 1.671595088555374e-09 1.516141338439661e-10 1.483295275754302e-09 ] [ 1.994113242322414e-09 -2.096646938435441e-09 5.205505807123561e-09 ] [ 9.497451466372935e-10 -5.079961329947281e-09 -3.537103215702793e-09 ] [ -6.634817664251952e-09 1.613185176361517e-09 7.436212791474834e-10 ] [ -3.05896420479849e-09 -5.910439167190925e-10 2.986818511999191e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.431844 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.676807208863275e-18 } }