{ "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" [ [ 3.336774400000001 0.09938320000000003 1.2804059000000003 ] [ -1.0438211000000002 -0.7425269000000001 -0.35216860000000005 ] [ 0.9801255000000002 0.9133129000000002 -0.8061564000000002 ] [ -2.9389608000000003 -0.6844866000000001 0.8227949000000002 ] [ 2.7056575000000005 1.0471005000000002 -1.1326924000000003 ] [ -1.5808353000000004 0.4818775000000001 -1.4843285000000002 ] [ -0.19397640000000005 -1.1753356000000001 -0.3981782000000001 ] [ -1.2649638000000003 0.060674900000000004 2.0703233000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.34610197660937e-09 1.592294408521488e-10 2.051436415015741e-09 ] [ -1.672385776496178e-09 -1.189659249296455e-09 -5.642363021484924e-10 ] [ 1.570334174487567e-09 1.463288587910779e-09 -1.291604947429558e-09 ] [ -4.708734322001947e-09 -1.096668436806104e-09 1.318262763354367e-09 ] [ 4.334941226106856e-09 1.677639954549717e-09 -1.814773296789382e-09 ] [ -2.53277737986238e-09 7.720528709503352e-10 -2.378156439880269e-09 ] [ -3.107844556274376e-10 -1.883095235428371e-09 -6.379518082081789e-10 ] [ -2.02669544321585e-09 9.721190705028659e-11 3.317023616085773e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.749223 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.727656977425538e-18 } }