{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "a" { "source-value" [ 9.89796 9.23476 8.823735 8.525104 8.290416 8.097059 7.932633 7.789597 7.66302 7.549502 7.4466 7.352495 7.265803 7.185439 7.110543 7.040417 6.97449 6.912288 6.853412 6.797524 6.744336 6.693599 6.645096 6.59864 6.551675 6.503277 6.453356 6.401813 6.34854 6.293416 6.236307 6.177065 6.115526 6.051503 5.984788 5.915144 5.842302 5.765954 5.685746 5.601266 5.512034 5.417483 5.316938 5.209588 5.094445 4.970287 4.835583 4.688372 4.526092 4.345304 4.141235 3.90699 3.63207 3.29932 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.89796e-10 9.23476e-10 8.823735e-10 8.525104000000001e-10 8.290416000000001e-10 8.097059e-10 7.932633e-10 7.789597e-10 7.66302e-10 7.549502e-10 7.4466e-10 7.352495000000001e-10 7.265803e-10 7.185439e-10 7.110543e-10 7.040417e-10 6.974490000000001e-10 6.912288e-10 6.853412e-10 6.797524e-10 6.744336e-10 6.693599e-10 6.645096e-10 6.59864e-10 6.551675000000001e-10 6.503277e-10 6.453356e-10 6.401813e-10 6.34854e-10 6.293416e-10 6.236307000000001e-10 6.177065000000001e-10 6.115526e-10 6.051503e-10 5.984788e-10 5.915144e-10 5.842302e-10 5.765954e-10 5.685746000000001e-10 5.601266e-10 5.512034e-10 5.417483e-10 5.316938e-10 5.209588000000001e-10 5.094445e-10 4.970287e-10 4.835583e-10 4.688372e-10 4.5260920000000006e-10 4.3453039999999997e-10 4.141235e-10 3.90699e-10 3.63207e-10 3.29932e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.110163 0.300248 0.46195 0.634279 0.794963 0.940357 1.07051 1.18609 1.28853 1.37939 1.46012 1.53198 1.59607 1.65331 1.7045 1.75028 1.79066 1.8253 1.85404 1.87686 1.89386 1.90517 1.91103 1.9126 1.91142 1.90861 1.90549 1.90305 1.90083 1.89801 1.89359 1.88633 1.87473 1.85694 1.83058 1.79149 1.73388 1.65038 1.53219 1.37284 1.17778 0.954646 0.697116 0.391506 0.0188419 -0.447573 -1.05372 -1.87832 -3.00966 -4.57561 -6.84612 -10.1767 -16.1347 -27.2601 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.76500584531342e-20 4.81050330005232e-20 7.401254960763e-20 1.016226993236886e-19 1.2736711434945418e-19 1.506618013018338e-19 1.71514610846334e-19 1.90032568382106e-19 2.0644526582080197e-19 2.2100264271732596e-19 2.33937014683608e-19 2.45450255975532e-19 2.55718606022838e-19 2.6488946507585397e-19 2.7309100726529996e-19 2.80425771895752e-19 2.86895361143844e-19 2.9244530100402e-19 2.9704995665013597e-19 3.00706123728924e-19 3.03429824006724e-19 3.05241885779778e-19 3.0618076128730197e-19 3.0643230301884e-19 3.0624324617602794e-19 3.0579303454187397e-19 3.0529315543206597e-19 3.0490222433337e-19 3.04546541120622e-19 3.0409472730983397e-19 3.03386565237606e-19 3.02223385001322e-19 3.00364860105882e-19 2.97514587873996e-19 2.93291250266772e-19 2.87028341804466e-19 2.77798202215992e-19 2.64420027322092e-19 2.45483901684846e-19 2.19953217022056e-19 1.88701159599252e-19 1.529511514941564e-19 1.1169029663875438e-19 6.27261765270804e-20 3.0188051920164602e-21 -7.170910026092819e-20 -1.68824556277848e-19 -3.00940041517488e-19 -4.82200692828444e-19 -7.33093542829674e-19 -1.096869349756008e-18 -1.63048709512278e-18 -2.5850639336599796e-18 -4.36754952605034e-18 ] } }