{ "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" [ [ 1.1249407 0.8458974 -2.27652 ] [ -0.7334698 0.26122 0.560221 ] [ -0.3261433 -0.529403 -1.4022141 ] [ -1.3031009 -0.7080962 3.0604787 ] [ 3.1142056 1.2306226 -1.7491686 ] [ -0.3321874 -1.636575 -0.0944488 ] [ -0.0585716 0.8752252 -0.0986124 ] [ -1.4856734 -0.3388911 2.0002642 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.802353689326386e-09 1.355277037875506e-09 -3.647387120783616e-09 ] [ -1.175148165622852e-09 4.18520576885376e-10 8.975729886811967e-10 ] [ -5.225391702905607e-10 -8.481971095813823e-10 -2.246594648376113e-09 ] [ -2.087797796523439e-09 -1.134495176917321e-09 4.903427421596377e-09 ] [ 4.989507404684436e-09 1.97167475874811e-09 -2.802477036757467e-09 ] [ -5.32222886004338e-10 -2.62208220318576e-09 -1.51323659222615e-10 ] [ -9.384204816284929e-11 1.402265353375004e-09 -1.579944818009779e-10 ] [ -2.380311187624447e-09 -5.429633974171948e-10 3.204776536663216e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.735153 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.482355398611098e-18 } }