{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0647644 0.143829 0.6473224 ] [ 1.313892 1.683397 0.0769283 ] [ 0.1194939 2.399252 1.546304 ] [ 2.728192 0.2406182 0.1106797 ] [ 2.458193 2.956348 2.547264 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.47644e-12 1.43829e-11 6.473223999999999e-11 ] [ 1.313892e-10 1.683397e-10 7.69283e-12 ] [ 1.194939e-11 2.399252e-10 1.546304e-10 ] [ 2.728192e-10 2.406182e-11 1.106797e-11 ] [ 2.458193e-10 2.956348e-10 2.547264000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9251171 -8.9705133 -3.593564 ] [ -4.4133794 2.8650414 0.2335108 ] [ 3.5966692 7.4991752 2.3469741 ] [ 3.1977369 -1.1442026 1.1985066 ] [ -0.4559096 -0.2495007 -0.1854276 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.084377609922296e-09 -1.437234668583546e-08 -5.757524226148531e-09 ] [ -7.071013293400332e-09 4.590302348704101e-09 3.741255444643046e-10 ] [ 5.76249930499144e-09 1.201500318072316e-08 3.760267032643122e-09 ] [ 5.123339300649468e-09 -1.833214655178574e-09 1.920219254394497e-09 ] [ -7.304477023182797e-10 -3.997441884132346e-10 -2.970877655710541e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -6.4922548 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.040173885683658e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.330337 0.0894734 1.2938145 ] [ 1.1051543 1.6029645 -0.3829277 ] [ 0.5780408 2.6658193 1.1421543 ] [ 3.2412915 0.4827597 -0.1579043 ] [ 2.0903858 2.5824273 3.0333617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.30337e-11 8.94734e-12 1.2938145e-10 ] [ 1.1051543e-10 1.6029645e-10 -3.829277e-11 ] [ 5.780408000000001e-11 2.6658193e-10 1.1421543e-10 ] [ 3.2412915e-10 4.827597e-11 -1.579043e-11 ] [ 2.0903858e-10 2.5824273e-10 3.0333617e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.2e-05 -7.88e-05 4.03e-05 ] [ -3.05e-05 0.0001386 0.0001337 ] [ -1.9e-06 2e-07 -0.0002324 ] [ -3.74e-05 2.13e-05 7.33e-05 ] [ 5.79e-05 -8.13e-05 -1.49e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.92261194496e-14 -1.2625151771904e-13 6.456771781824e-14 ] [ -4.88663869344e-14 2.2206167964288e-13 2.1421101420096e-13 ] [ -3.04413557952e-15 3.2043532416e-16 -3.7234584667392e-13 ] [ -5.992140561792e-14 3.412636202304e-14 1.1743954630464e-13 ] [ 9.276602634432e-14 -1.3025695927104e-13 -2.387243164992e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.195223 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.793672455524244e-18 } }