{ "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" [ [ 4.503460800000001 0.27127290000000004 1.5935758000000004 ] [ -1.6154368000000003 -1.0814006000000003 -0.4703581000000001 ] [ 1.5862202000000005 1.1516310000000003 -0.9195540000000002 ] [ -3.973686900000001 -1.4037690000000003 1.2989402000000003 ] [ 3.840456900000001 1.8516144000000005 -1.6214649000000005 ] [ -2.5744436000000004 0.5469372000000001 -1.9046241000000004 ] [ 0.2711971000000001 -1.1265172000000003 -0.37061930000000004 ] [ -2.0377677000000003 -0.20976870000000006 2.3941044000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.215339665894947e-09 4.346271018174186e-10 2.553189911267858e-09 ] [ -2.588215094663731e-09 -1.732594773313581e-09 -7.535967574326356e-10 ] [ 2.541404940818807e-09 1.845116279190054e-09 -1.473287932501236e-09 ] [ -6.366548302011896e-09 -2.249085891333546e-09 2.081131637403287e-09 ] [ 6.153090309064075e-09 2.96661332685793e-09 -2.597873175631147e-09 ] [ -4.124713381470843e-09 8.762900021053848e-10 -3.05154422957328e-09 ] [ 4.345056568285615e-10 -1.804879535639105e-09 -5.937975825694362e-10 ] [ -3.264863794459922e-09 -3.360865096845559e-10 3.83577812903659e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.364176 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.665965646786358e-18 } }