{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.700129 2.133533 1.415237 ] [ 2.985807 2.812498 3.555959 ] [ 1.950344 4.41901 2.566342 ] [ 5.113997 2.527784 1.58139 ] [ 5.483026 3.06067 3.469124 ] [ 3.944653 4.730231 1.719663 ] [ 3.598129 4.831394 3.870985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.700129e-10 2.133533e-10 1.415237e-10 ] [ 2.985807e-10 2.812498e-10 3.555959e-10 ] [ 1.950344e-10 4.41901e-10 2.566342e-10 ] [ 5.113997e-10 2.527784e-10 1.58139e-10 ] [ 5.483026e-10 3.06067e-10 3.469124e-10 ] [ 3.944653e-10 4.730231e-10 1.719663e-10 ] [ 3.598129e-10 4.831394000000001e-10 3.870985e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3704738 0.4928147 -0.278722 ] [ 0.4235468 -3.804714 1.8118175 ] [ -3.7550835 0.2831241 -1.9166305 ] [ -1.6318279 -1.1260317 -5.4522769 ] [ -0.01619 1.8718918 5.3484245 ] [ 2.0284705 0.0994641 -2.5415448 ] [ 2.5806102 2.183451 3.0289322 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.935644609789351e-10 7.895761907265658e-10 -4.465618721026177e-10 ] [ 6.785967807746535e-10 -6.095823819630451e-09 2.902851639656304e-09 ] [ -6.016306992851837e-09 4.536148138050412e-10 -3.070780577812215e-09 ] [ -2.61447651054916e-09 -1.804101664019679e-09 -8.735510579307899e-09 ] [ -2.5939239490752e-11 2.99910127862723e-09 8.569120692013931e-09 ] [ 3.249968011082487e-09 1.593590556289133e-10 -4.072003659275812e-09 ] [ 4.134593329838012e-09 3.498274144862381e-09 4.85288435682831e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.691209 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.994661807428655e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7537025 2.0455325 1.6331803 ] [ 2.8569709 2.6076842 3.9569307 ] [ 2.0288496 4.2216584 2.3155132 ] [ 4.9708455 2.8539368 1.309477 ] [ 5.2178934 2.8815591 3.6784895 ] [ 4.0975202 5.0651207 1.4578082 ] [ 3.850303 4.8396283 3.8273011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7537025e-10 2.0455325e-10 1.6331803e-10 ] [ 2.8569709e-10 2.6076842e-10 3.9569307e-10 ] [ 2.0288496e-10 4.2216584e-10 2.3155132e-10 ] [ 4.9708455e-10 2.8539368e-10 1.309477e-10 ] [ 5.217893400000001e-10 2.8815591e-10 3.6784895e-10 ] [ 4.0975202e-10 5.0651207e-10 1.4578082e-10 ] [ 3.850303e-10 4.8396283e-10 3.8273011e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.63e-05 5.25e-05 2.25e-05 ] [ 6.08e-05 -1.2e-06 -1.93e-05 ] [ 4.75e-05 -7.2e-06 -3.37e-05 ] [ -6.98e-05 1.79e-05 3.45e-05 ] [ -4.14e-05 3.58e-05 -2.55e-05 ] [ 7.1e-06 -6.02e-05 2.35e-05 ] [ -2.05e-05 -3.76e-05 -2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.611547891904e-14 8.4114272592e-14 3.604897396800001e-14 ] [ 9.741233854464e-14 -1.92261194496e-15 -3.092200878144e-14 ] [ 7.610338948800001e-14 -1.153567166976e-14 -5.399335212096e-14 ] [ -1.1183192813184e-13 2.867896151232001e-14 5.52750934176e-14 ] [ -6.633011210111999e-14 5.735792302464001e-14 -4.08555038304e-14 ] [ 1.137545400768e-14 -9.645103257216e-14 3.76511505888e-14 ] [ -3.28446207264e-14 -6.024184094208e-14 -3.2043532416e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319314854257e-18 } }