{ "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" [ 5.56756 0 0 ] "si-unit" "m" "si-value" [ 5.56756e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.603325 5.38792 0 ] "si-unit" "m" "si-value" [ 6.033250000000001e-11 5.387920000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.402741 -0.450618 5.48706 ] "si-unit" "m" "si-value" [ -4.02741e-11 -4.50618e-11 5.48706e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.336492 0.0638405 0.189929 ] [ 1.53887 1.35333 1.11771 ] [ 0.318438 2.15889 3.01891 ] [ 1.68585 3.81794 4.45016 ] [ 2.72641 -0.320403 2.65546 ] [ 4.33601 0.74819 4.56114 ] [ 3.14234 2.88247 0.0769818 ] [ 4.12798 3.93896 1.35009 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.36492e-11 6.38405e-12 1.89929e-11 ] [ 1.53887e-10 1.35333e-10 1.11771e-10 ] [ 3.18438e-11 2.15889e-10 3.01891e-10 ] [ 1.68585e-10 3.81794e-10 4.45016e-10 ] [ 2.72641e-10 -3.20403e-11 2.65546e-10 ] [ 4.33601e-10 7.481900000000001e-11 4.56114e-10 ] [ 3.14234e-10 2.88247e-10 7.698180000000001e-12 ] [ 4.12798e-10 3.93896e-10 1.35009e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 116.63023610000003 -212.99375240000006 203.32989820000006 ] [ -8.243716200000001 -16.105289900000002 1.2177101000000001 ] [ -13.447243700000003 -8.312321600000002 15.755473900000004 ] [ -21.954257900000005 21.374678800000005 -8.949626600000002 ] [ -29.798664900000006 56.34650290000001 70.14719550000001 ] [ -128.37275120000004 226.84963000000005 -226.60063610000006 ] [ 5.041508400000001 -54.35393290000001 -21.948363200000003 ] [ 80.14488940000001 -12.805514900000004 -32.95165190000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.868622375578042e-07 -3.41253610471744e-07 3.257704092056841e-07 ] [ -1.320788936415022e-08 -2.580351894898637e-08 1.95098665313203e-09 ] [ -2.154485947034009e-08 -1.331780733209085e-08 2.52430519322046e-08 ] [ -3.517459873439371e-08 3.424601065046941e-08 -1.43388825034098e-08 ] [ -4.774272423383358e-08 9.027704961021942e-08 1.12388196644787e-07 ] [ -2.056758207204152e-07 3.634531736231304e-07 -3.630542414178286e-07 ] [ 8.077386892046817e-09 -8.708460054091195e-08 -3.516515438386708e-08 ] [ 1.284062680732818e-07 -2.051669659008606e-08 -5.279436629091991e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 37.591896 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.022885690274504e-18 } }