{ "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" [ [ 3.095423 1.998262 0.8352723 ] [ 3.003915 2.107064 3.861401 ] [ 2.921301 4.877628 0.9226955 ] [ 1.839297 3.508607 2.236053 ] [ 4.200263 0.9739816 2.537715 ] [ 4.333089 3.298954 2.357847 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.095423e-10 1.998262e-10 8.352723e-11 ] [ 3.003915e-10 2.107064e-10 3.861401e-10 ] [ 2.921301e-10 4.877627999999999e-10 9.226955000000001e-11 ] [ 1.839297e-10 3.508607e-10 2.236053e-10 ] [ 4.200263e-10 9.739816e-11 2.537715e-10 ] [ 4.333089e-10 3.298954000000001e-10 2.357847e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3435209 -0.9871612 -5.9766477 ] [ -5.2051388 2.016689 7.3042925 ] [ 1.788533 2.9877741 -2.9671801 ] [ -5.0637748 -1.3520707 2.9529989 ] [ 5.2590014 -8.2217999 -1.6905124 ] [ 5.5649001 5.5565687 0.3770488 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.754734396336175e-09 -1.581606595600873e-09 -9.575645215698093e-09 ] [ -8.339551693378968e-09 3.231091967224531e-09 1.170276667498479e-08 ] [ 2.865545758129286e-09 4.786941811251761e-09 -4.753946585923006e-09 ] [ -8.113061597556197e-09 -2.166256065208691e-09 4.731225798828117e-09 ] [ 8.425849091834469e-09 -1.317277558067578e-08 -2.708499444452498e-09 ] [ 8.915952837307581e-09 8.902604463009049e-09 6.040987722606952e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -8.9323658 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.431122765319349e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7279002 2.0077106 0.4765563 ] [ 2.9910599 2.5284266 3.9857801 ] [ 3.2288035 4.388232 1.1008485 ] [ 1.3758001 3.1497483 2.2584579 ] [ 4.1822509 1.1593092 2.2496406 ] [ 4.8874733 3.5310698 2.6797005 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7279002e-10 2.0077106e-10 4.765563e-11 ] [ 2.9910599e-10 2.5284266e-10 3.9857801e-10 ] [ 3.2288035e-10 4.388232e-10 1.1008485e-10 ] [ 1.3758001e-10 3.1497483e-10 2.2584579e-10 ] [ 4.1822509e-10 1.1593092e-10 2.2496406e-10 ] [ 4.8874733e-10 3.5310698e-10 2.6797005e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.16e-05 -2.64e-05 2.46e-05 ] [ -2.36e-05 -4.53e-05 -1.01e-05 ] [ 6.7e-06 5.61e-05 -3.55e-05 ] [ -6.04e-05 2.8e-05 -4.3e-06 ] [ 5.53e-05 -2.55e-05 1.45e-05 ] [ 5.36e-05 1.31e-05 1.09e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.062878121728e-14 -4.229746278912e-14 3.941354487168e-14 ] [ -3.781136825088e-14 -7.257860092224001e-14 -1.618198387008e-14 ] [ 1.073458335936e-14 8.988210842688002e-14 -5.68772700384e-14 ] [ -9.677146789632e-14 4.48609453824e-14 -6.889359469440001e-15 ] [ 8.860036713024e-14 -4.08555038304e-14 2.32315610016e-14 ] [ 8.587666687488e-14 2.098851373248e-14 1.746372516672e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.593993 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.338215438871885e-18 } }