{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.101107 2.382088 1.155059 ] [ 1.870329 4.675053 0.5879216 ] [ 2.558831 4.133121 3.113399 ] [ 4.446179 2.802067 2.809564 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.101107e-10 2.382088e-10 1.155059e-10 ] [ 1.870329e-10 4.675053e-10 5.879216e-11 ] [ 2.558831e-10 4.133121e-10 3.113399e-10 ] [ 4.446179e-10 2.802067e-10 2.809564e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3330074 -0.1224621 1.0517476 ] [ -0.0618952 0.4020293 0.3634865 ] [ -0.0436373 -0.0077025 -0.7001854 ] [ -1.227475 -0.2718647 -0.7150487 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.135713309229092e-09 -1.962059151705714e-10 1.685085429585578e-09 ] [ -9.916704319675678e-11 6.441219506433761e-10 5.823695770744409e-10 ] [ -6.991466243084819e-11 -1.2340765523385e-11 -1.121820687347943e-09 ] [ -1.96663176381915e-09 -4.355752699494197e-10 -1.145634319312076e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.7407014 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.079979427985109e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6914582 2.2804513 0.7557961 ] [ 1.6468636 4.4031177 1.0168274 ] [ 2.7967828 4.7157222 3.0771634 ] [ 3.8413415 2.5930378 2.8161567 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6914582e-10 2.2804513e-10 7.557961e-11 ] [ 1.6468636e-10 4.4031177e-10 1.0168274e-10 ] [ 2.7967828e-10 4.7157222e-10 3.0771634e-10 ] [ 3.8413415e-10 2.5930378e-10 2.8161567e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.34e-05 7.1e-06 2.42e-05 ] [ -6.2e-06 1.89e-05 -3.16e-05 ] [ -1.72e-05 -5.9e-06 6.9e-06 ] [ 3.68e-05 -2.01e-05 5e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.14691668956e-14 1.13754541014e-14 3.877267454279999e-14 ] [ -9.9334951308e-15 3.02811383826e-14 -5.06287816344e-14 ] [ -2.75574381048e-14 -9.452842140600001e-15 1.10550187746e-14 ] [ 5.896010013119999e-14 -3.22037503434e-14 8.010883169999999e-16 ] ] } "relaxed-potential-energy" { "source-value" -8.6379755 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.383956251116446e-18 } }