{ "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" [ 5.46879 0 0 ] "si-unit" "m" "si-value" [ 5.468790000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.164352 5.45396 0 ] "si-unit" "m" "si-value" [ -1.64352e-11 5.453960000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.164037 0.0480481 5.25114 ] "si-unit" "m" "si-value" [ -1.64037e-11 4.804810000000001e-12 5.251140000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.110213 -0.12035 -0.0596546 ] [ 1.31419 1.39201 1.41434 ] [ -0.168287 2.6382 2.797 ] [ 1.3034 4.08885 4.02601 ] [ 2.55869 -0.0573607 2.7167 ] [ 3.95328 1.36182 4.12861 ] [ 2.72846 2.73806 0.151815 ] [ 4.07331 4.0714 1.3741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.10213e-11 -1.2035e-11 -5.96546e-12 ] [ 1.31419e-10 1.39201e-10 1.41434e-10 ] [ -1.68287e-11 2.6382e-10 2.797e-10 ] [ 1.3034e-10 4.08885e-10 4.02601e-10 ] [ 2.55869e-10 -5.736070000000001e-12 2.7167e-10 ] [ 3.95328e-10 1.36182e-10 4.12861e-10 ] [ 2.72846e-10 2.73806e-10 1.51815e-11 ] [ 4.07331e-10 4.0714e-10 1.3741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.8778227000000003 0.05691850000000001 1.0487828000000001 ] [ -1.0192655000000002 -0.6870495000000001 -0.24079130000000007 ] [ 0.9796187000000002 0.7253872000000001 -0.6940008000000001 ] [ -2.7067479000000003 -0.9291998000000002 0.9229628000000002 ] [ 2.6288199000000003 1.2451929000000002 -1.2133871000000003 ] [ -1.5416843000000005 0.4105959000000001 -1.2848244000000002 ] [ 0.08681660000000001 -0.7795772000000002 -0.18459280000000003 ] [ -1.3053802000000003 -0.042268000000000014 1.6458508000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.610780286734792e-09 9.119349074232902e-11 1.680335296301095e-09 ] [ -1.633043367942327e-09 -1.100774655301383e-09 -3.857901945304843e-10 ] [ 1.569522191369456e-09 1.162198422442685e-09 -1.111911865737307e-09 ] [ -4.336688239508569e-09 -1.488742207877473e-09 1.478749432211215e-09 ] [ 4.211833818774216e-09 1.995018969202699e-09 -1.944060459617022e-09 ] [ -2.470050562464647e-09 6.578471569962007e-10 -2.05851563247307e-09 ] [ 1.390955279633244e-10 -1.249020374239145e-09 -2.957502709646352e-10 ] [ -2.091449654926247e-09 -6.772080196591201e-11 2.636943694810208e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.962357 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.761804808896633e-18 } }