{ "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" [ 5.37928 0 0 ] "si-unit" "m" "si-value" [ 5.37928e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.109609 5.36452 0 ] "si-unit" "m" "si-value" [ -1.09609e-11 5.36452e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.116688 0.583163 5.41925 ] "si-unit" "m" "si-value" [ -1.16688e-11 5.83163e-11 5.41925e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.149607 0.163517 0.168021 ] [ 1.37749 1.37328 1.35818 ] [ 0.000964456 2.92001 2.60942 ] [ 1.4682 4.32928 3.69686 ] [ 2.55926 -0.0770152 2.34173 ] [ 4.30694 1.43375 4.42217 ] [ 2.84059 2.75554 0.271651 ] [ 3.86093 4.12935 1.26521 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.49607e-11 1.63517e-11 1.68021e-11 ] [ 1.37749e-10 1.37328e-10 1.35818e-10 ] [ 9.64456e-14 2.92001e-10 2.60942e-10 ] [ 1.4682e-10 4.32928e-10 3.69686e-10 ] [ 2.55926e-10 -7.70152e-12 2.34173e-10 ] [ 4.30694e-10 1.43375e-10 4.422170000000001e-10 ] [ 2.84059e-10 2.75554e-10 2.71651e-11 ] [ 3.86093e-10 4.12935e-10 1.26521e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.8978319999999997 -1.4693798999999999 0.06372679999999999 ] [ -1.8147665999999998 2.2504223999999997 -0.7105182999999999 ] [ 0.13299989999999998 -1.0392407999999997 1.0674122999999998 ] [ -1.7916005999999998 -1.5076503999999997 3.5754929999999994 ] [ 2.1553534999999995 2.0082014999999998 1.6520053999999997 ] [ -3.1027019999999994 3.4706309999999996 -3.0230634999999997 ] [ -0.9071196999999999 -3.3639621999999996 -4.527075599999999 ] [ 2.4300034999999998 -0.34902159999999993 1.9020199999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.642838719657487e-09 -2.354206142249256e-09 1.021015899195912e-10 ] [ -2.907576642683624e-09 3.605574185910201e-09 -1.138375818289402e-09 ] [ 2.130893321043365e-10 -1.665047326859467e-09 1.710183045904198e-09 ] [ -2.87046061878038e-09 -2.415522243120753e-09 5.728571339630561e-09 ] [ 3.453257015710118e-09 3.21749351966375e-09 2.646804451121823e-09 ] [ -4.971076646665067e-09 5.560563893436053e-09 -4.843481702798258e-09 ] [ -1.45336598758109e-09 -5.389661634499234e-09 -7.253174746671528e-09 ] [ 3.893294828238218e-09 -5.591942522812943e-10 3.047372001400679e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -29.270612 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.689669060928e-18 } }