{ "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" [ 5.45864 0 0 ] "si-unit" "m" "si-value" [ 5.45864e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103818 5.38839 0 ] "si-unit" "m" "si-value" [ 1.03818e-11 5.388390000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.113176 0.0705962 5.39093 ] "si-unit" "m" "si-value" [ 1.13176e-11 7.05962e-12 5.39093e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000432489 -6.72518e-05 0.0122781 ] [ 1.51992 1.38746 1.2495 ] [ 0.155886 2.80678 2.64329 ] [ 1.56947 4.13166 3.92938 ] [ 2.77407 -0.0290867 2.65575 ] [ 4.2526 1.27774 3.82666 ] [ 2.78396 2.65139 -0.0871139 ] [ 4.18696 3.99308 1.34271 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.32489e-14 -6.72518e-15 1.22781e-12 ] [ 1.51992e-10 1.38746e-10 1.2495e-10 ] [ 1.55886e-11 2.80678e-10 2.64329e-10 ] [ 1.56947e-10 4.13166e-10 3.92938e-10 ] [ 2.77407e-10 -2.90867e-12 2.65575e-10 ] [ 4.2526e-10 1.27774e-10 3.82666e-10 ] [ 2.78396e-10 2.65139e-10 -8.71139e-12 ] [ 4.18696e-10 3.99308e-10 1.34271e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.45877830000000014 -0.07660680000000002 -0.9500042000000002 ] [ -1.9345662000000003 -0.8355553000000002 1.1902449000000002 ] [ 0.5468864000000001 -1.6885767000000005 -0.36489180000000004 ] [ -1.3717727000000002 -1.0927757000000002 2.2888086000000003 ] [ 0.9276466000000002 1.2308942000000003 -1.7309935000000005 ] [ -0.018367800000000004 1.4065348000000002 2.2196758000000005 ] [ 1.6561031000000004 0.5981768000000001 -1.3040026000000002 ] [ -0.26470760000000004 0.4579087000000001 -1.3488372000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.350438663903689e-10 -1.227376239543015e-10 -1.522074518901808e-09 ] [ -3.099516737029898e-09 -1.33870716704553e-09 1.906982551806434e-09 ] [ 8.762086043134773e-10 -2.705398111167616e-09 -5.846211110816295e-10 ] [ -2.197822148991693e-09 -1.750819678318355e-09 3.667075628405979e-09 ] [ 1.486253694884609e-09 1.97210990991832e-09 -2.773357316456766e-09 ] [ -2.942845973553025e-11 2.253517172901604e-09 3.556312672515538e-09 ] [ 2.653369668454405e-09 9.583848840649576e-10 -2.089242479182415e-09 ] [ -4.241083280680782e-10 7.336506136009212e-10 -2.161075427105334e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.264398 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.810197064298628e-18 } }