{ "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" [ 5.47225 0 0 ] "si-unit" "m" "si-value" [ 5.47225e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0720088 5.55574 0 ] "si-unit" "m" "si-value" [ -7.20088e-12 5.55574e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0610026 -0.0268755 5.37267 ] "si-unit" "m" "si-value" [ -6.10026e-12 -2.68755e-12 5.37267e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0205094 -0.0758047 0.142316 ] [ 1.30951 1.38319 1.48801 ] [ -0.0602099 2.69484 2.70363 ] [ 1.30902 4.05591 4.11478 ] [ 2.76224 0.0853385 2.86654 ] [ 4.01949 1.17816 4.04456 ] [ 2.72232 2.71295 0.0698342 ] [ 4.15368 4.12703 1.42088 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.05094e-12 -7.580470000000001e-12 1.42316e-11 ] [ 1.30951e-10 1.38319e-10 1.48801e-10 ] [ -6.02099e-12 2.69484e-10 2.70363e-10 ] [ 1.30902e-10 4.05591e-10 4.11478e-10 ] [ 2.76224e-10 8.53385e-12 2.86654e-10 ] [ 4.01949e-10 1.17816e-10 4.04456e-10 ] [ 2.72232e-10 2.71295e-10 6.983420000000001e-12 ] [ 4.15368e-10 4.127030000000001e-10 1.42088e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6545491000000001 0.20483310000000005 -1.0686351000000003 ] [ 0.9049437000000002 -0.35718500000000003 -0.6792612000000001 ] [ -0.38583250000000013 -0.028770600000000007 1.2614946000000002 ] [ -0.15518350000000003 0.7091623000000001 -0.05327480000000001 ] [ -1.9206475000000005 -3.192038600000001 -2.5923006000000006 ] [ 2.2348158000000002 2.8232200000000005 2.4310591000000006 ] [ 0.4888016000000001 -0.3745258000000001 0.09710800000000003 ] [ -1.8214468000000004 0.21530460000000007 0.6038100000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.048703265185681e-09 3.281788039859885e-10 -1.712142173386271e-09 ] [ 1.449879639280249e-09 -5.72273456300448e-10 -1.088296414056553e-09 ] [ -6.181718110448162e-10 -4.60955826863885e-11 2.021137155385448e-09 ] [ -2.486313756339169e-10 1.136203257412756e-09 -8.535563903779586e-11 ] [ -3.077216521297969e-09 -5.114209617611165e-09 -4.153323415405813e-09 ] [ 3.580569626554449e-09 4.523297079374977e-09 3.89498605380309e-09 ] [ 7.831464957296335e-10 -6.000564806464168e-10 1.555841672926464e-10 ] [ -2.918279478990974e-09 3.449559964706958e-10 9.67410265405248e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -41.201845 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.601263279282538e-18 } }