{ "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" [ [ 1.479569 0.0177177 -3.431303 ] [ 1.0634617 2.7424656 -0.8067787 ] [ 1.1890461 -0.1387345 0.8862258 ] [ 1.1867653 -0.0618518 0.9742552 ] [ 0.772989 -0.7367202 3.2367332 ] [ -0.6769449 -2.5513595 -1.6662177 ] [ -3.4162251 0.7531624 -0.3431731 ] [ -1.5986611 -0.0246796 1.1502582 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.370530860660435e-09 2.838688471434816e-11 -5.497553445480903e-09 ] [ 1.703853472856223e-09 4.393914267668245e-09 -1.292601971299417e-09 ] [ 1.905061862473419e-09 -2.222771723983776e-10 1.419890257509777e-09 ] [ 1.901407618036698e-09 -9.909750791439745e-11 1.560928904132828e-09 ] [ 1.238464903935571e-09 -1.1803558805111e-09 5.185818260807171e-09 ] [ -1.084585292349794e-09 -4.087728542155977e-09 -2.669575044103148e-09 ] [ -5.473395986610142e-09 1.206699188945618e-09 -5.498239177074605e-10 ] [ -2.561337439002411e-09 -3.954107813069568e-11 1.84291679592349e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.573 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.69942289317184e-18 } }