{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.442259 2.324158 2.548252 ] [ 2.158618 1.41899 4.605472 ] [ 2.34516 4.213318 2.000238 ] [ 2.029556 3.900131 4.500233 ] [ 3.591834 1.471441 2.657937 ] [ 4.338938 2.513725 4.512162 ] [ 5.128703 3.807673 2.402827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.442259e-10 2.324158e-10 2.548252e-10 ] [ 2.158618e-10 1.41899e-10 4.605472e-10 ] [ 2.34516e-10 4.213318e-10 2.000238e-10 ] [ 2.029556e-10 3.900131e-10 4.500233e-10 ] [ 3.591834e-10 1.471441e-10 2.657937e-10 ] [ 4.338938e-10 2.513725e-10 4.512162e-10 ] [ 5.128703e-10 3.807673e-10 2.402827e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2626792 -2.1652631 -1.1358152 ] [ -0.9269788 -0.2508462 1.9378368 ] [ 3.6145654 2.1875078 0.4484248 ] [ 0.9016361 0.0401911 0.0417997 ] [ 1.4181149 -1.0755851 -2.5886447 ] [ 0.9805988 2.0612803 0.6799356 ] [ -3.7252572 -0.7972849 0.6164628 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.625211714610447e-09 -3.469133916700933e-09 -1.819776558989276e-09 ] [ -1.485183761337239e-09 -4.01899917056521e-10 3.104756815885886e-09 ] [ 5.791172178232601e-09 3.504773854977643e-09 7.184557307469159e-10 ] [ 1.444580279889291e-09 6.439324078423489e-11 6.697050209645377e-11 ] [ 2.27207053838813e-09 -1.72327730090083e-09 -4.14746601789783e-09 ] [ 1.571092471744535e-09 3.30253510557561e-09 1.08937692196962e-09 ] [ -5.96851999230687e-09 -1.277391226896866e-09 9.876822857529062e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.182902 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.073439710349756e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7254756 1.8680049 2.4054346 ] [ 2.0092449 1.8671643 4.7013626 ] [ 2.4301133 4.1459842 2.424558 ] [ 2.2183619 4.3086219 4.7202015 ] [ 3.8022813 1.3267939 1.5668955 ] [ 4.2242226 2.9054909 4.8320831 ] [ 4.6253684 3.227376 2.5765856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7254756e-10 1.8680049e-10 2.4054346e-10 ] [ 2.0092449e-10 1.8671643e-10 4.701362600000001e-10 ] [ 2.4301133e-10 4.1459842e-10 2.424558e-10 ] [ 2.2183619e-10 4.3086219e-10 4.7202015e-10 ] [ 3.8022813e-10 1.3267939e-10 1.5668955e-10 ] [ 4.2242226e-10 2.9054909e-10 4.8320831e-10 ] [ 4.6253684e-10 3.227376e-10 2.5765856e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.31e-05 -1.56e-05 -3.79e-05 ] [ 2.6e-06 1.4e-05 -2.5e-06 ] [ 1.48e-05 -1.85e-05 3.97e-05 ] [ 7.8e-06 5.3e-06 -6.54e-05 ] [ -3.82e-05 4e-06 1.79e-05 ] [ 3.78e-05 -3.61e-05 7.93e-05 ] [ -4.79e-05 4.69e-05 -3.12e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.701027994048e-14 -2.499395528448e-14 -6.072249392832e-14 ] [ 4.16565921408e-15 2.24304726912e-14 -4.005441552e-15 ] [ 2.371221398784e-14 -2.96402674848e-14 6.360641184576e-14 ] [ 1.249697764224e-14 8.491536090240001e-15 -1.0478235100032e-13 ] [ -6.120314691456e-14 6.4087064832e-15 2.867896151232001e-14 ] [ 6.056227626623999e-14 -5.783857601088001e-14 1.2705260602944e-13 ] [ -7.674426013632e-14 7.514208351552e-14 -4.998791056896e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.541842 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.611601224216751e-18 } }