{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.009597 0.3628337 1.078601 ] [ 0.0352367 0.1167127 2.680629 ] [ 0.3335965 1.756245 2.167544 ] [ 2.066416 0.0072977 2.832654 ] [ 2.311694 1.962933 1.086024 ] [ 2.552148 1.611374 2.965257 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.009597e-10 3.628337e-11 1.078601e-10 ] [ 3.52367e-12 1.167127e-11 2.680629e-10 ] [ 3.335965e-11 1.756245e-10 2.167544e-10 ] [ 2.066416e-10 7.2977e-13 2.832654e-10 ] [ 2.311694e-10 1.962933e-10 1.086024e-10 ] [ 2.552148e-10 1.611374e-10 2.965257e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 33.7542113 -36.8371868 -101.5692221 ] [ -61.1273309 -96.2869936 77.9178066 ] [ -18.6515247 132.6845593 7.8174278 ] [ -3.3921949 -114.0424765 13.7867668 ] [ 12.423455 16.0845729 -38.1541619 ] [ 36.9933843 98.3975247 40.2013827 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.408020819840318e-08 -5.901967946700236e-08 -1.627318330414627e-07 ] [ -9.793678045988542e-08 -1.542687700330392e-07 1.248380880785359e-07 ] [ -2.988303681661373e-08 2.125840988516112e-07 1.252490005595198e-08 ] [ -5.434895361976994e-09 -1.827161896264334e-07 2.208883544338163e-08 ] [ 1.990456915056086e-08 2.577032665593326e-08 -6.11297061823981e-08 ] [ 5.926993544972978e-08 1.576502136189305e-07 6.440971548577358e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 74.459577 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.192973934640574e-17 } "relaxed-configuration-positions" { "source-value" [ [ 1.1329701 0.0770431 0.6906872 ] [ -0.3926803 -0.1881579 2.9410591 ] [ 0.2440554 2.2432874 2.2860134 ] [ 2.1950773 -0.5608627 3.030683 ] [ 2.4274848 2.3284342 0.6466628 ] [ 2.7017809 1.917652 3.2156035 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1329701e-10 7.70431e-12 6.906872e-11 ] [ -3.926803e-11 -1.881579e-11 2.9410591e-10 ] [ 2.440554e-11 2.2432874e-10 2.2860134e-10 ] [ 2.1950773e-10 -5.608627000000001e-11 3.030683e-10 ] [ 2.4274848e-10 2.3284342e-10 6.466628e-11 ] [ 2.7017809e-10 1.917652e-10 3.2156035e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.4e-05 2.98e-05 3.1e-05 ] [ 1.12e-05 -3.11e-05 -1.56e-05 ] [ 2.55e-05 -7e-06 -1.49e-05 ] [ -1.71e-05 3.29e-05 1.44e-05 ] [ -4.9e-06 -3.3e-06 1.7e-05 ] [ -7e-07 -2.13e-05 -3.19e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.24304726912e-14 4.774486329984001e-14 4.96674752448e-14 ] [ 1.794437815296e-14 -4.982769290688e-14 -2.499395528448e-14 ] [ 4.08555038304e-14 -1.12152363456e-14 -2.387243164992e-14 ] [ -2.739722021568e-14 5.271161082432e-14 2.307134333952e-14 ] [ -7.850665441919999e-15 -5.28718284864e-15 2.72370025536e-14 ] [ -1.12152363456e-15 -3.412636202304e-14 -5.110943420352001e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.865808 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.182853313090161e-18 } }