{ "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" [ [ 4.503464800000001 0.27127180000000006 1.5935748000000005 ] [ -1.6154386000000005 -1.0814009000000002 -0.4703595000000001 ] [ 1.5862206000000005 1.1516311000000001 -0.9195540000000002 ] [ -3.973689200000001 -1.4037699000000001 1.2989422000000002 ] [ 3.840459900000001 1.8516153000000004 -1.6214678000000005 ] [ -2.5744467000000006 0.5469386000000002 -1.9046247000000005 ] [ 0.2711970000000001 -1.1265185000000002 -0.37061930000000004 ] [ -2.0377678000000006 -0.20976740000000005 2.3941083000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.215346074601484e-09 4.346253394231212e-10 2.553188309091224e-09 ] [ -2.588217978581673e-09 -1.732595253966571e-09 -7.53599000479923e-10 ] [ 2.541405581689461e-09 1.845116439407718e-09 -1.473287932501236e-09 ] [ -6.366551987018153e-09 -2.249087333292517e-09 2.081134841756555e-09 ] [ 6.153095115593977e-09 2.9666147688169e-09 -2.597877821943386e-09 ] [ -4.124718348218409e-09 8.762922451526726e-10 -3.05154519087926e-09 ] [ 4.345054966108981e-10 -1.804881618468729e-09 -5.937975825694362e-10 ] [ -3.264863954677586e-09 -3.360844268549316e-10 3.835784377525463e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.364128 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.665957956338515e-18 } }