{ "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" [ [ 5.935644658691891e-10 7.895761972317197e-10 -4.46561875781748e-10 ] [ 6.785967863654711e-10 -6.095823869852676e-09 2.902851663572295e-09 ] [ -6.016307042418939e-09 4.536148175422794e-10 -3.070780603111736e-09 ] [ -2.614476532089288e-09 -1.804101678883298e-09 -8.735510651277954e-09 ] [ -2.593923970446e-11 2.999101303336201e-09 8.569120762613133e-09 ] [ 3.249968037858297e-09 1.593590569418394e-10 -4.072003692824203e-09 ] [ 4.134593363902067e-09 3.498274173683933e-09 4.852884396810214e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.691209 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.994661832101051e-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" [ [ 2.61154791342e-14 8.4114273285e-14 3.6048974265e-14 ] [ 9.741233934719999e-14 -1.9226119608e-15 -3.09220090362e-14 ] [ 7.6103390115e-14 -1.15356717648e-14 -5.399335256579999e-14 ] [ -1.118319290532e-13 2.86789617486e-14 5.527509387299999e-14 ] [ -6.633011264759999e-14 5.735792349719999e-14 -4.0855504167e-14 ] [ 1.13754541014e-14 -9.645103336679999e-14 3.765115089899999e-14 ] [ -3.2844620997e-14 -6.024184143839999e-14 -3.204353268e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319343288959e-18 } }