{ "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" [ [ 2.058884 2.441785 3.519822 ] [ 1.92668 3.148467 1.175123 ] [ 5.519963 2.275692 0.7370638 ] [ 3.694005 1.670931 2.395445 ] [ 3.953137 3.917443 1.57665 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.058884e-10 2.441785e-10 3.519822e-10 ] [ 1.92668e-10 3.148467e-10 1.175123e-10 ] [ 5.519963e-10 2.275692e-10 7.370638000000001e-11 ] [ 3.694005e-10 1.670931e-10 2.395445e-10 ] [ 3.953137e-10 3.917443e-10 1.57665e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6267196 1.0650948 0.1888446 ] [ -1.1259996 -0.3747812 0.6600305 ] [ -1.0575202 0.558427 0.879443 ] [ 2.2792512 -1.0237683 -1.3990965 ] [ 1.5309882 -0.2249723 -0.3292216 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.606292111717128e-09 1.706469987495652e-09 3.025624030843277e-10 ] [ -1.804050234150152e-09 -6.004656765553689e-10 1.057485436114934e-09 ] [ -1.69433414046374e-09 8.946986838234816e-10 1.409023013926214e-09 ] [ 3.651762985570345e-09 -1.640257635376161e-09 -2.241599702543107e-09 ] [ 2.452913500760675e-09 -3.604453593876039e-10 -5.274711505823693e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -13.224741 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.118837084633521e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5600006 2.5982027 3.0257907 ] [ 1.5372474 3.5029192 1.1544754 ] [ 5.2082797 2.3299126 1.1485615 ] [ 4.0874409 0.977028 2.5576772 ] [ 3.7597004 4.0462555 1.517599 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5600006e-10 2.5982027e-10 3.0257907e-10 ] [ 1.5372474e-10 3.5029192e-10 1.1544754e-10 ] [ 5.2082797e-10 2.3299126e-10 1.1485615e-10 ] [ 4.0874409e-10 9.770280000000001e-11 2.5576772e-10 ] [ 3.7597004e-10 4.0462555e-10 1.517599e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.92e-05 -8.3e-06 3.43e-05 ] [ -1.2e-05 8.7e-06 -2.14e-05 ] [ 1.96e-05 1.2e-06 4.8e-06 ] [ -1.6e-05 5.4e-06 -1.16e-05 ] [ -1.08e-05 -6.9e-06 -6.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.076179111936e-14 -1.329806595264e-14 5.495465809344e-14 ] [ -1.92261194496e-14 1.393893660096e-14 -3.428657968511999e-14 ] [ 3.140266176767999e-14 1.92261194496e-15 7.69044777984e-15 ] [ -2.56348259328e-14 8.65175375232e-15 -1.858524880128e-14 ] [ -1.730350750464e-14 -1.105501868352e-14 -9.77327738688e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.287503 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.289110327620986e-18 } }