{ "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" [ 5.31945 0 0 ] "si-unit" "m" "si-value" [ 5.31945e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00383334 5.41695 0 ] "si-unit" "m" "si-value" [ -3.83334e-13 5.416950000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0189848 -0.118491 5.47074 ] "si-unit" "m" "si-value" [ 1.89848e-12 -1.18491e-11 5.47074e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0147515 -0.0960157 0.0381768 ] [ 1.54242 1.27348 1.38773 ] [ -0.0738039 2.51333 2.6891 ] [ 1.45374 4.04036 4.07661 ] [ 2.81495 -0.0309523 2.80877 ] [ 4.27456 1.30079 3.98727 ] [ 2.73206 2.74248 -0.103972 ] [ 3.9224 4.04214 1.39211 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.47515e-12 -9.60157e-12 3.81768e-12 ] [ 1.54242e-10 1.27348e-10 1.38773e-10 ] [ -7.38039e-12 2.51333e-10 2.6891e-10 ] [ 1.45374e-10 4.04036e-10 4.07661e-10 ] [ 2.81495e-10 -3.09523e-12 2.80877e-10 ] [ 4.27456e-10 1.30079e-10 3.98727e-10 ] [ 2.73206e-10 2.74248e-10 -1.03972e-11 ] [ 3.9224e-10 4.04214e-10 1.39211e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0662613 0.0278101 0.1264902 ] [ -0.0450366 0.0890821 -0.1919804 ] [ 0.4054034 0.4271651 -0.4052006 ] [ -0.2155752 -0.107768 -0.1001573 ] [ -0.161466 0.0487998 0.1345804 ] [ 0.00292 -0.1687984 0.5357688 ] [ -0.139053 -0.1896557 -0.0620745 ] [ 0.0865461 -0.1266349 -0.0374267 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.06162305723815e-10 4.455669204211009e-11 2.026596412003162e-10 ] [ -7.215658760032129e-11 1.427252579517677e-10 -3.075865085318324e-10 ] [ 6.495278494728308e-10 6.843939364416941e-10 -6.492029280541326e-10 ] [ -3.453895454642841e-10 -1.726633700703744e-10 -1.604696844624518e-10 ] [ -2.586970502540928e-10 7.818589865971583e-11 2.156215704979123e-10 ] [ 4.678355732736e-12 -2.704448501084467e-10 8.583962455140711e-10 ] [ -2.227874656521024e-10 -3.038619285414586e-10 -9.94543126478496e-11 ] [ 1.386621380414189e-10 -2.028914761573459e-10 -5.996418373369536e-11 ] ] } "unrelaxed-potential-energy" { "source-value" 31.300764 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.014935229397829e-18 } }