{ "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" [ [ 1.7940719000000005 -0.28117440000000005 -0.09769590000000003 ] [ -0.7305205000000001 -0.16181400000000004 -0.3973757000000001 ] [ 0.18273880000000003 -0.18586870000000003 -0.29883740000000003 ] [ -0.9368123000000003 -0.21065790000000006 0.6671424000000001 ] [ 0.9034137000000002 0.4243609000000001 -1.4575070000000003 ] [ -1.0434370000000002 0.5554507000000001 -0.37387800000000004 ] [ -0.3985008000000001 -0.8361074000000002 0.14303500000000002 ] [ 0.22904610000000006 0.6958107000000001 1.8151166000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.874420054214237e-09 -4.504910500474676e-10 -1.565260869280148e-10 ] [ -1.170422866115127e-09 -2.592546077181313e-10 -6.366660562140347e-10 ] [ 2.927798330730471e-10 -2.97794485678489e-10 -4.78790295700658e-10 ] [ -1.500938765137876e-09 -3.375111623668244e-10 1.068879956024402e-09 ] [ 1.447428309050425e-09 6.799011127616469e-10 -2.335183640052346e-09 ] [ -1.67177036667769e-09 8.899301255469948e-10 -5.990185906314624e-10 ] [ -6.384686651300968e-10 -1.339591728757874e-09 2.29167332956128e-10 ] [ 3.66972306505419e-10 1.114811636042483e-09 2.908137380545986e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 670.17611 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.073740495260689e-16 } }