{ "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" [ [ 0.6874791 0.1657934 2.219954 ] [ 0.5100092 2.362694 1.535272 ] [ 2.868635 0.820347 0.8272379 ] [ 1.615801 0.0071538 0.7495484 ] [ 2.741884 2.697599 0.8166341 ] [ 2.318736 2.919901 2.403388 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.874791e-11 1.657934e-11 2.219954e-10 ] [ 5.100092000000001e-11 2.362694e-10 1.535272e-10 ] [ 2.868635e-10 8.203470000000001e-11 8.272379e-11 ] [ 1.615801e-10 7.1538e-13 7.495484e-11 ] [ 2.741884e-10 2.697599e-10 8.166341000000001e-11 ] [ 2.318736e-10 2.919901e-10 2.403388e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -19.6497711 1.667874 29.2205074 ] [ -20.7938293 1.1643609 0.2223425 ] [ 73.2145123 17.2731483 2.9597864 ] [ -47.8839139 -49.7699276 -34.4536545 ] [ 17.6774958 18.6068489 -48.1548852 ] [ -2.5644938 11.0576956 50.2059034 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.148240411986847e-08 2.672228751256116e-09 4.681641418990409e-08 ] [ -3.331538743584457e-08 1.86551182752321e-09 3.56231958245145e-10 ] [ 1.173025808767656e-07 2.767463460187682e-08 4.742100611710977e-09 ] [ -7.67184879950478e-08 -7.97402150765917e-08 -5.520084019580894e-08 ] [ 2.832247071839314e-08 2.98114585399486e-08 -7.715263188039241e-08 ] [ -4.108772044397869e-09 1.771638151620461e-08 8.043872531634113e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 45.037899 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.215866942225196e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5305932 -0.0261415 2.8077867 ] [ 0.403482 2.2683904 1.1582104 ] [ 3.5667181 0.5622802 0.7691484 ] [ 1.1986943 0.064704 0.3330316 ] [ 2.7229993 2.8548726 0.4908257 ] [ 2.3200574 3.2493825 2.9930316 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.305932e-11 -2.61415e-12 2.8077867e-10 ] [ 4.03482e-11 2.2683904e-10 1.1582104e-10 ] [ 3.5667181e-10 5.622802e-11 7.691484e-11 ] [ 1.1986943e-10 6.4704e-12 3.330316e-11 ] [ 2.7229993e-10 2.8548726e-10 4.908257e-11 ] [ 2.3200574e-10 3.2493825e-10 2.9930316e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 3.5e-06 9.5e-06 ] [ 1.24e-05 1.64e-05 4e-06 ] [ 7.6e-06 -2.39e-05 3.1e-06 ] [ 1.27e-05 4e-07 -1.05e-05 ] [ -2.61e-05 1.3e-05 3e-06 ] [ -6.5e-06 -9.4e-06 -9.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 5.607618218999999e-15 1.5220678023e-14 ] [ 1.98669902616e-14 2.62756967976e-14 6.408706535999999e-15 ] [ 1.21765424184e-14 -3.82920215526e-14 4.9667475654e-15 ] [ 2.03476432518e-14 6.408706536e-16 -1.6822854657e-14 ] [ -4.18168101474e-14 2.082829624199999e-14 4.806529901999999e-15 ] [ -1.0414148121e-14 -1.50604603596e-14 -1.45798073694e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.423933 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.471186505698152e-18 } }