{ "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" [ 5.43079 0 0 ] "si-unit" "m" "si-value" [ 5.43079e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0839771 5.43297 0 ] "si-unit" "m" "si-value" [ -8.397710000000001e-12 5.432970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0398452 0.0785902 5.46584 ] "si-unit" "m" "si-value" [ 3.98452e-12 7.85902e-12 5.46584e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0520054 -0.0817533 0.0407426 ] [ 1.35344 1.3045 1.28849 ] [ 0.00819716 2.75378 2.6961 ] [ 1.33497 4.09637 3.90076 ] [ 2.57675 -0.0301907 2.72622 ] [ 4.09447 1.46101 4.06258 ] [ 2.65601 2.62697 -0.116016 ] [ 4.03834 4.01266 1.20961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.20054e-12 -8.17533e-12 4.07426e-12 ] [ 1.35344e-10 1.3045e-10 1.28849e-10 ] [ 8.197160000000001e-13 2.75378e-10 2.6961e-10 ] [ 1.33497e-10 4.09637e-10 3.90076e-10 ] [ 2.57675e-10 -3.01907e-12 2.72622e-10 ] [ 4.09447e-10 1.46101e-10 4.06258e-10 ] [ 2.656010000000001e-10 2.62697e-10 -1.16016e-11 ] [ 4.03834e-10 4.012660000000001e-10 1.20961e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.7174404 1.5144818 -3.1757097 ] [ -1.0528785 0.2879098 0.6980187 ] [ -0.6503327 -0.8124002 -2.0149055 ] [ -2.1328717 -1.5722202 4.6410347 ] [ 4.0877797 2.8402116 -2.3653509 ] [ -0.2656155 -2.3214687 -0.126486 ] [ -0.1256749 1.3592772 0.0420092 ] [ -1.5778467 -1.2957913 2.3013895 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.751642856497401e-09 2.426467332587101e-09 -5.088047835787782e-09 ] [ -1.686897317242973e-09 4.612823504592038e-10 1.118349242021209e-09 ] [ -1.04194784768174e-09 -1.301608607173244e-09 -3.228234485221334e-09 ] [ -3.417237172905951e-09 -2.5189744471895e-09 7.435757292661541e-09 ] [ 6.549345066320837e-09 4.550520623644962e-09 -3.789709911968239e-09 ] [ -4.255629442221024e-10 -3.719402877058969e-09 -2.026529120585088e-10 ] [ -2.013533866013779e-10 2.177802151026486e-09 6.730615809851136e-11 ] [ -2.527989093946432e-09 -2.076086526296039e-09 3.687232452254602e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.842473 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.582379565145524e-18 } }